Drug Information

Drug ID:  NPD4406
Drug Name:  Cyproheptadine Hydrochloride
Molecular Formula:  C21H21N.ClH
Canonical SMILES:  CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1.Cl
Standard InCHI:  InChI=1S/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H
Standard InCHIKey:  ZPMVNZLARAEGHB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4406

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.8966 NPC470926
Intermediate Similarity 0.8471 NPC104070
Intermediate Similarity 0.8372 NPC133162
Intermediate Similarity 0.8261 NPC329430
Intermediate Similarity 0.8125 NPC239854
Intermediate Similarity 0.8023 NPC231986
Intermediate Similarity 0.7778 NPC258046
Intermediate Similarity 0.7692 NPC60408
Intermediate Similarity 0.7647 NPC271642
Intermediate Similarity 0.7556 NPC169016
Intermediate Similarity 0.7529 NPC98976
Intermediate Similarity 0.7475 NPC474582
Intermediate Similarity 0.7442 NPC139658
Intermediate Similarity 0.7396 NPC322040
Intermediate Similarity 0.7353 NPC167336
Intermediate Similarity 0.7349 NPC213570
Intermediate Similarity 0.7349 NPC246822
Intermediate Similarity 0.7349 NPC139416
Intermediate Similarity 0.7312 NPC17497
Intermediate Similarity 0.7312 NPC305602
Intermediate Similarity 0.7294 NPC54269
Intermediate Similarity 0.7284 NPC155172
Intermediate Similarity 0.7284 NPC291066
Intermediate Similarity 0.7262 NPC72670
Intermediate Similarity 0.725 NPC71009
Intermediate Similarity 0.725 NPC22786
Intermediate Similarity 0.7228 NPC291610
Intermediate Similarity 0.7191 NPC159661
Intermediate Similarity 0.7184 NPC473418
Intermediate Similarity 0.7184 NPC474695
Intermediate Similarity 0.7176 NPC135433
Intermediate Similarity 0.7176 NPC226999
Intermediate Similarity 0.7176 NPC158028
Intermediate Similarity 0.7176 NPC39799
Intermediate Similarity 0.7176 NPC193578
Intermediate Similarity 0.7176 NPC1008
Intermediate Similarity 0.7176 NPC87099
Intermediate Similarity 0.7176 NPC280135
Intermediate Similarity 0.716 NPC113670
Intermediate Similarity 0.7159 NPC3190
Intermediate Similarity 0.7159 NPC249018
Intermediate Similarity 0.7126 NPC276699
Intermediate Similarity 0.7126 NPC307195
Intermediate Similarity 0.7125 NPC238023
Intermediate Similarity 0.7125 NPC310758
Intermediate Similarity 0.7125 NPC210849
Intermediate Similarity 0.7125 NPC246588
Intermediate Similarity 0.7111 NPC315216
Intermediate Similarity 0.7108 NPC267443
Intermediate Similarity 0.7093 NPC244738
Intermediate Similarity 0.7079 NPC12857
Intermediate Similarity 0.7075 NPC292758
Intermediate Similarity 0.7075 NPC65855
Intermediate Similarity 0.7065 NPC119677
Intermediate Similarity 0.7065 NPC474088
Intermediate Similarity 0.7059 NPC251490
Intermediate Similarity 0.7059 NPC263385
Intermediate Similarity 0.7059 NPC229235
Intermediate Similarity 0.7021 NPC203076
Intermediate Similarity 0.7011 NPC112609
Intermediate Similarity 0.7011 NPC113000
Intermediate Similarity 0.7011 NPC122327
Intermediate Similarity 0.7011 NPC258492
Intermediate Similarity 0.7011 NPC96835
Remote Similarity 0.6966 NPC290638
Remote Similarity 0.6941 NPC200936
Remote Similarity 0.6914 NPC135924
Remote Similarity 0.6905 NPC6107
Remote Similarity 0.6897 NPC1901
Remote Similarity 0.6889 NPC66270
Remote Similarity 0.6889 NPC245896
Remote Similarity 0.6889 NPC255345
Remote Similarity 0.6875 NPC36357
Remote Similarity 0.6875 NPC114327
Remote Similarity 0.6867 NPC32312
Remote Similarity 0.6867 NPC198023
Remote Similarity 0.6854 NPC110264
Remote Similarity 0.6829 NPC29680
Remote Similarity 0.6829 NPC66517
Remote Similarity 0.6786 NPC113837
Remote Similarity 0.6786 NPC289915
Remote Similarity 0.6786 NPC178527
Remote Similarity 0.6778 NPC325662
Remote Similarity 0.6778 NPC98269
Remote Similarity 0.6768 NPC473661
Remote Similarity 0.675 NPC120441
Remote Similarity 0.675 NPC65873
Remote Similarity 0.675 NPC300345
Remote Similarity 0.675 NPC212114
Remote Similarity 0.6747 NPC88566
Remote Similarity 0.6747 NPC21211
Remote Similarity 0.6747 NPC45756
Remote Similarity 0.6744 NPC473206
Remote Similarity 0.6739 NPC50063
Remote Similarity 0.6707 NPC54368
Remote Similarity 0.6707 NPC248705
Remote Similarity 0.6707 NPC150196
Remote Similarity 0.6667 NPC219246
Remote Similarity 0.6638 NPC475915
Remote Similarity 0.6638 NPC314192
Remote Similarity 0.6636 NPC45033
Remote Similarity 0.6629 NPC299134
Remote Similarity 0.6628 NPC22760
Remote Similarity 0.6627 NPC200745
Remote Similarity 0.6625 NPC269586
Remote Similarity 0.6625 NPC198841
Remote Similarity 0.6607 NPC246904
Remote Similarity 0.6606 NPC158854
Remote Similarity 0.6598 NPC473031
Remote Similarity 0.6596 NPC14326
Remote Similarity 0.6585 NPC147062
Remote Similarity 0.6566 NPC172128
Remote Similarity 0.6559 NPC475573
Remote Similarity 0.6559 NPC475289
Remote Similarity 0.6552 NPC297358
Remote Similarity 0.6549 NPC473573
Remote Similarity 0.6548 NPC50266
Remote Similarity 0.6531 NPC12429
Remote Similarity 0.6522 NPC264580
Remote Similarity 0.6505 NPC472258
Remote Similarity 0.6505 NPC311242
Remote Similarity 0.65 NPC149436
Remote Similarity 0.65 NPC277704
Remote Similarity 0.6476 NPC316797
Remote Similarity 0.6471 NPC108339
Remote Similarity 0.6471 NPC256452
Remote Similarity 0.6471 NPC264470
Remote Similarity 0.6465 NPC470877
Remote Similarity 0.6463 NPC8235
Remote Similarity 0.6463 NPC64270
Remote Similarity 0.6413 NPC9796
Remote Similarity 0.6408 NPC471319
Remote Similarity 0.6408 NPC471320
Remote Similarity 0.64 NPC159178
Remote Similarity 0.64 NPC141139
Remote Similarity 0.64 NPC121872
Remote Similarity 0.64 NPC471307
Remote Similarity 0.64 NPC78041
Remote Similarity 0.64 NPC209764
Remote Similarity 0.64 NPC74936
Remote Similarity 0.6395 NPC36440
Remote Similarity 0.6392 NPC3210
Remote Similarity 0.6386 NPC169110
Remote Similarity 0.6379 NPC320656
Remote Similarity 0.6373 NPC469330
Remote Similarity 0.6373 NPC474974
Remote Similarity 0.6316 NPC242628
Remote Similarity 0.63 NPC298115
Remote Similarity 0.63 NPC176858
Remote Similarity 0.629 NPC259665
Remote Similarity 0.629 NPC126859
Remote Similarity 0.629 NPC89769
Remote Similarity 0.6289 NPC95429
Remote Similarity 0.6286 NPC322598
Remote Similarity 0.6277 NPC272260
Remote Similarity 0.6275 NPC108800
Remote Similarity 0.6273 NPC79618
Remote Similarity 0.6273 NPC434
Remote Similarity 0.6263 NPC471638
Remote Similarity 0.626 NPC8305
Remote Similarity 0.626 NPC66177
Remote Similarity 0.626 NPC268763
Remote Similarity 0.6239 NPC474559
Remote Similarity 0.6238 NPC191444
Remote Similarity 0.623 NPC252794
Remote Similarity 0.6228 NPC187036
Remote Similarity 0.6218 NPC316896
Remote Similarity 0.6214 NPC7067
Remote Similarity 0.6214 NPC71140
Remote Similarity 0.6214 NPC471309
Remote Similarity 0.6211 NPC164449
Remote Similarity 0.6211 NPC184030
Remote Similarity 0.6198 NPC307020
Remote Similarity 0.6198 NPC285394
Remote Similarity 0.6182 NPC473498
Remote Similarity 0.618 NPC5324
Remote Similarity 0.6176 NPC245259
Remote Similarity 0.6176 NPC125226
Remote Similarity 0.6176 NPC220596
Remote Similarity 0.6168 NPC228400
Remote Similarity 0.6168 NPC469457
Remote Similarity 0.6168 NPC214200
Remote Similarity 0.6154 NPC58674
Remote Similarity 0.6154 NPC303045
Remote Similarity 0.6154 NPC161972
Remote Similarity 0.6154 NPC192209
Remote Similarity 0.6154 NPC212463
Remote Similarity 0.6154 NPC313449
Remote Similarity 0.6142 NPC313352
Remote Similarity 0.6129 NPC40488
Remote Similarity 0.6122 NPC267704
Remote Similarity 0.6105 NPC151405
Remote Similarity 0.6105 NPC139901
Remote Similarity 0.6102 NPC220698
Remote Similarity 0.61 NPC53492
Remote Similarity 0.6095 NPC25565
Remote Similarity 0.6082 NPC121478
Remote Similarity 0.6082 NPC73637
Remote Similarity 0.608 NPC124802
Remote Similarity 0.6078 NPC316108

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  287.17
ALogP  1.1943
MLogP  3.66
XLogP  7.962
HDA  1
HBD  0
Rotatable Bonds  1
TPSA  3.24
RO5 Violation  1