Natural Product: NPC78058
Natural Product ID:   | NPC78058 |
Common Name*:   | FQEQMASDZFXSJI-UPJWGTAASA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | FQEQMASDZFXSJI-UPJWGTAASA-N |
Standard InCHI:   | InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12-,13+/m1/s1 |
SMILES:   | C1CCN2C[C@H]3C[C@H](Cn4c3cccc4=O)[C@@H]2C1
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
CHEMBL1324708 |
PubChem CID:   |
638234 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000279] Alkaloids and derivatives
-
[CHEMONTID:0002719] Lupin alkaloids
[CHEMONTID:0002723] Anagyrine-type alkaloids
|
*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.
  Species Source
Organism ID |
Organism Name |
Taxonomy Level |
Family |
SuperKingdom |
Isolation Part |
Collection Location |
Collection Time |
Reference |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10654410] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[10843587] |
NPO20142 |
Embelia schimperi |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11054840] |
NPO18668 |
Asimina parviflora |
Species |
Annonaceae |
Eukaryota |
twigs |
n.a. |
n.a. |
PMID[1453182] |
NPO19667 |
Hypericum styphelioides |
Species |
Hypericaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[15165152] |
NPO19667 |
Hypericum styphelioides |
Species |
Hypericaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[15165152] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[15568770] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15911254] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[16392664] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[16933887] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
roots |
Hualien Hsien, Taiwan |
2003-JUL |
PMID[16933887] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[17951038] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18175961] |
NPO20879 |
Clerodendrum bungei |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18348535] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[18975262] |
NPO3152 |
Morella rubra |
Species |
Myricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19407970] |
NPO3152 |
Morella rubra |
Species |
Myricaceae |
Eukaryota |
n.a. |
bark |
n.a. |
PMID[21553897] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24295087] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24333010] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24459770] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27575476] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[30298740] |
NPO21386 |
Catenicella cribraria |
Species |
Catenicellidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8277321] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[9868163] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
Database[Article] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17334 |
Onopordum acanthium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21170 |
Embelia parviflora |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21375 |
Euphorbia nematocypha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12056 |
Chondrodendron tomentosum |
Species |
Menispermaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12056 |
Chondrodendron tomentosum |
Species |
Menispermaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18668 |
Asimina parviflora |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3152 |
Morella rubra |
Species |
Myricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20142 |
Embelia schimperi |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20680 |
Erythrina melanacantha |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21375 |
Euphorbia nematocypha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20489 |
Epilobium hirsutum |
Species |
Onagraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20879 |
Clerodendrum bungei |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17334 |
Onopordum acanthium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21170 |
Embelia parviflora |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21170 |
Embelia parviflora |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21375 |
Euphorbia nematocypha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO17334 |
Onopordum acanthium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20680 |
Erythrina melanacantha |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Title] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO16141 |
Piper regnellii |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21562 |
Diospyros assimilis |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14241 |
Planchonia grandis |
Species |
Asterolecaniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17560 |
Pancratium sickenbergeri |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19912 |
Vellozia nanuzae |
Species |
Velloziaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18866 |
Pteridium esculentum |
Species |
Dennstaedtiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21386 |
Catenicella cribraria |
Species |
Catenicellidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19810 |
Myxococcus stipitatus |
Species |
Myxococcaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9968 |
Shigella dysenteriae |
Species |
Enterobacteriaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21495 |
Abelia chinensis |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18668 |
Asimina parviflora |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20843 |
Monsonia senegalensis |
Species |
Geraniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17334 |
Onopordum acanthium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28753 |
Saccopetalum tomentosum |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27367 |
Latrunculia magnifica |
Species |
Latrunculiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19036 |
Esenbeckia leiocarpa |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19511 |
Dolabella californica |
Species |
Aplysiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22961 |
Cordia leucocephala |
Species |
Cordiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18473 |
Plathymenia reticulata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21631 |
Faramea salicifolia |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21038 |
Lemaireocereus longispinus |
Species |
Cactaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12723 |
Pteronia paniculata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5903 |
Conus mus |
Species |
Conidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22937 |
Vernonia fagifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21170 |
Embelia parviflora |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28202 |
Helichrysum tenuifolium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28566 |
Calceolaria lepida |
Species |
Calceolariaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3152 |
Morella rubra |
Species |
Myricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19667 |
Hypericum styphelioides |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20879 |
Clerodendrum bungei |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20084 |
Atraphaxis spinosa |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18143 |
Dendronephthya griffini |
Species |
Nephtheidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20142 |
Embelia schimperi |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16569 |
Gymnocalycium schickendantzii |
Species |
Cactaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19995 |
Baccharis neglecta |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20421 |
Aplophyllum alberti-regelii |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12056 |
Chondrodendron tomentosum |
Species |
Menispermaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20489 |
Epilobium hirsutum |
Species |
Onagraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11523 |
Erysimum leptophyllum |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21375 |
Euphorbia nematocypha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17258 |
Rhinella marina |
Species |
Bufonidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17849 |
Centaurea maculosa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28072 |
Theonella conica |
Species |
Theonellidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20680 |
Erythrina melanacantha |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4051 |
Tricholoma columbetta |
Species |
Tricholomataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21243 |
Siphonaria capensis |
Species |
Siphonariidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21108 |
Eria anomala |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20624 |
Simarouba glauca |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12313 |
Haplophyllum obtusifolium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3543 |
Araliorhamnus vaginata |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13449 |
Syzygium polycephaloides |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
  NP Quantity Composition/Concentration
Organism ID |
NP ID |
Organism Material Preparation |
Organism Part |
NP Quantity (Standard) |
NP Quantity (Minimum) |
NP Quantity (Maximum) |
Quantity Unit |
Reference |
☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
  Biological Activity
Activity Type |
# Activity |
Others |
7 |
Potency |
3 |
Activity Type |
# Activity |
Individual Protein |
2 |
Organism |
8 |
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
NPT48 |
Individual Protein |
Lysine-specific demethylase 4D-like |
Homo sapiens |
Potency |
= |
35481.3 |
nM |
PMID[455873] |
NPT442 |
Individual Protein |
Ferritin light chain |
Equus caballus |
Potency |
= |
50118.7 |
nM |
PMID[455873] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
Potency |
n.a. |
18526.0 |
nM |
PMID[455873] |
NPT19 |
Organism |
Escherichia coli |
Escherichia coli |
Inhibition |
= |
5.34 |
% |
PMID[455874] |
NPT18 |
Organism |
Pseudomonas aeruginosa |
Pseudomonas aeruginosa |
Inhibition |
= |
2.05 |
% |
PMID[455874] |
NPT85 |
Organism |
Filobasidiella neoformans |
Cryptococcus neoformans |
Inhibition |
= |
-3.93 |
% |
PMID[455874] |
NPT2922 |
Organism |
Staphylococcus aureus subsp. aureus |
Staphylococcus aureus subsp. aureus |
Inhibition |
= |
6.92 |
% |
PMID[455874] |
NPT747 |
Organism |
Acinetobacter baumannii |
Acinetobacter baumannii |
Inhibition |
= |
-12.51 |
% |
PMID[455874] |
NPT173 |
Organism |
Klebsiella pneumoniae |
Klebsiella pneumoniae |
Inhibition |
= |
8.7 |
% |
PMID[455874] |
NPT20 |
Organism |
Candida albicans |
Candida albicans |
Inhibition |
= |
-0.36 |
% |
PMID[455874] |
☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.
  Chemically structural similarity: I. Similar Active Natural Products in NPASS
Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC78058 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 521 |
0.1-0.2 | 4044 |
0.2-0.3 | 15480 |
0.3-0.4 | 15830 |
0.4-0.5 | 3199 |
0.5-0.6 | 2571 |
0.6-0.7 | 941 |
0.7-0.8 | 97 |
0.8-0.85 | 0 |
0.85-0.9 | 1 |
0.9-0.95 | 6 |
0.95-1 | 7 |
  Chemically structural similarity: II. Similar Clinical/Approved Drugs
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC78058 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 278 |
0.1-0.2 | 574 |
0.2-0.3 | 1074 |
0.3-0.4 | 1919 |
0.4-0.5 | 2540 |
0.5-0.6 | 2048 |
0.6-0.7 | 645 |
0.7-0.8 | 69 |
0.8-0.85 | 2 |
0.85-0.9 | 0 |
0.9-0.95 | 1 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |
0.8193 |
Intermediate Similarity |
NPD529 |
Approved |
0.6744 |
Remote Similarity |
NPD816 |
Approved |
0.6744 |
Remote Similarity |
NPD815 |
Approved |
0.6422 |
Remote Similarity |
NPD4063 |
Clinical (unspecified phase) |
0.5902 |
Remote Similarity |
NPD3549 |
Approved |
0.5902 |
Remote Similarity |
NPD3550 |
Clinical (unspecified phase) |
0.5902 |
Remote Similarity |
NPD3547 |
Approved |
0.575 |
Remote Similarity |
NPD1821 |
Approved |
0.575 |
Remote Similarity |
NPD1823 |
Approved |
0.575 |
Remote Similarity |
NPD1822 |
Approved |
0.5641 |
Remote Similarity |
NPD5180 |
Approved |
0.5641 |
Remote Similarity |
NPD5179 |
Approved |
0.5641
|
Remote Similarity |
NPD5181 |
Approved |