Drug Information

Drug ID:  NPD2914
Drug Name:  Mianserin
Molecular Formula:  C18H20N2
Canonical SMILES:  CN1CCN2C(C1)c1ccccc1Cc1c2cccc1
Standard InCHI:  InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
Standard InCHIKey:  UEQUQVLFIPOEMF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD2914

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 0.8774 NPC291610
High Similarity 0.8632 NPC475915
Intermediate Similarity 0.8095 NPC470926
Intermediate Similarity 0.7983 NPC192209
Intermediate Similarity 0.7797 NPC296163
Intermediate Similarity 0.7797 NPC187036
Intermediate Similarity 0.775 NPC313673
Intermediate Similarity 0.7739 NPC79618
Intermediate Similarity 0.7698 NPC252794
Intermediate Similarity 0.7686 NPC313449
Intermediate Similarity 0.7672 NPC302790
Intermediate Similarity 0.7623 NPC264580
Intermediate Similarity 0.7611 NPC239854
Intermediate Similarity 0.7545 NPC329430
Intermediate Similarity 0.7521 NPC288232
Intermediate Similarity 0.7436 NPC434
Intermediate Similarity 0.7364 NPC476950
Intermediate Similarity 0.7357 NPC109787
Intermediate Similarity 0.7333 NPC104070
Intermediate Similarity 0.7252 NPC9856
Intermediate Similarity 0.7231 NPC145754
Intermediate Similarity 0.7207 NPC108800
Intermediate Similarity 0.7164 NPC313352
Intermediate Similarity 0.7122 NPC473868
Intermediate Similarity 0.7122 NPC63157
Intermediate Similarity 0.7121 NPC473417
Intermediate Similarity 0.7099 NPC478079
Intermediate Similarity 0.708 NPC314102
Intermediate Similarity 0.708 NPC251722
Intermediate Similarity 0.7071 NPC20144
Intermediate Similarity 0.7031 NPC257490
Intermediate Similarity 0.7029 NPC130251
Intermediate Similarity 0.7027 NPC191444
Intermediate Similarity 0.7015 NPC53044
Intermediate Similarity 0.7008 NPC226143
Remote Similarity 0.6993 NPC21605
Remote Similarity 0.6978 NPC88097
Remote Similarity 0.6972 NPC469735
Remote Similarity 0.6937 NPC176858
Remote Similarity 0.6934 NPC471123
Remote Similarity 0.6934 NPC198988
Remote Similarity 0.6934 NPC325599
Remote Similarity 0.6929 NPC81561
Remote Similarity 0.6923 NPC469740
Remote Similarity 0.6897 NPC33421
Remote Similarity 0.6897 NPC40070
Remote Similarity 0.6897 NPC66936
Remote Similarity 0.6884 NPC325252
Remote Similarity 0.6875 NPC291962
Remote Similarity 0.6875 NPC54102
Remote Similarity 0.6875 NPC162689
Remote Similarity 0.6875 NPC177684
Remote Similarity 0.6857 NPC186284
Remote Similarity 0.6857 NPC22082
Remote Similarity 0.6853 NPC264589
Remote Similarity 0.685 NPC148140
Remote Similarity 0.6833 NPC474695
Remote Similarity 0.6822 NPC161956
Remote Similarity 0.6822 NPC112373
Remote Similarity 0.6822 NPC258531
Remote Similarity 0.6818 NPC258046
Remote Similarity 0.6818 NPC122718
Remote Similarity 0.6803 NPC164802
Remote Similarity 0.6788 NPC162417
Remote Similarity 0.6788 NPC316104
Remote Similarity 0.6781 NPC206592
Remote Similarity 0.6757 NPC476297
Remote Similarity 0.6738 NPC301760
Remote Similarity 0.6738 NPC104483
Remote Similarity 0.6727 NPC229477
Remote Similarity 0.6718 NPC268534
Remote Similarity 0.6714 NPC469560
Remote Similarity 0.6697 NPC119677
Remote Similarity 0.6696 NPC30445
Remote Similarity 0.6696 NPC322040
Remote Similarity 0.6696 NPC111233
Remote Similarity 0.6695 NPC323726
Remote Similarity 0.6692 NPC316582
Remote Similarity 0.669 NPC2949
Remote Similarity 0.669 NPC59084
Remote Similarity 0.6667 NPC184437
Remote Similarity 0.6667 NPC228515
Remote Similarity 0.6667 NPC243162
Remote Similarity 0.6667 NPC169433
Remote Similarity 0.6667 NPC222029
Remote Similarity 0.6667 NPC271642
Remote Similarity 0.6643 NPC469537
Remote Similarity 0.6641 NPC215519
Remote Similarity 0.6636 NPC169016
Remote Similarity 0.6623 NPC276085
Remote Similarity 0.6623 NPC6436
Remote Similarity 0.6623 NPC474880
Remote Similarity 0.6623 NPC221786
Remote Similarity 0.6623 NPC56765
Remote Similarity 0.6623 NPC475990
Remote Similarity 0.6621 NPC469525
Remote Similarity 0.6607 NPC262295
Remote Similarity 0.6579 NPC229173
Remote Similarity 0.6579 NPC78154
Remote Similarity 0.6579 NPC474058
Remote Similarity 0.6577 NPC478076
Remote Similarity 0.6571 NPC98976
Remote Similarity 0.6557 NPC473418
Remote Similarity 0.6554 NPC243756
Remote Similarity 0.6554 NPC154602
Remote Similarity 0.6545 NPC134825
Remote Similarity 0.6544 NPC328590
Remote Similarity 0.6535 NPC314141
Remote Similarity 0.6533 NPC476219
Remote Similarity 0.6525 NPC218268
Remote Similarity 0.6522 NPC282398
Remote Similarity 0.6514 NPC231986
Remote Similarity 0.6507 NPC470440
Remote Similarity 0.6507 NPC204141
Remote Similarity 0.65 NPC300299
Remote Similarity 0.6493 NPC46358
Remote Similarity 0.6493 NPC192533
Remote Similarity 0.649 NPC51054
Remote Similarity 0.649 NPC29285
Remote Similarity 0.6489 NPC143603
Remote Similarity 0.6489 NPC91958
Remote Similarity 0.6486 NPC133162
Remote Similarity 0.6483 NPC311330
Remote Similarity 0.6479 NPC150259
Remote Similarity 0.6471 NPC81229
Remote Similarity 0.6471 NPC255229
Remote Similarity 0.6463 NPC212799
Remote Similarity 0.6462 NPC476566
Remote Similarity 0.6458 NPC115611
Remote Similarity 0.6454 NPC267508
Remote Similarity 0.6452 NPC2165
Remote Similarity 0.6452 NPC195507
Remote Similarity 0.6447 NPC104345
Remote Similarity 0.6443 NPC475763
Remote Similarity 0.6439 NPC179605
Remote Similarity 0.6439 NPC279385
Remote Similarity 0.6438 NPC116519
Remote Similarity 0.6429 NPC194881
Remote Similarity 0.6429 NPC469741
Remote Similarity 0.6419 NPC470111
Remote Similarity 0.6412 NPC471402
Remote Similarity 0.6412 NPC240136
Remote Similarity 0.6412 NPC297486
Remote Similarity 0.6405 NPC318065
Remote Similarity 0.6405 NPC206819
Remote Similarity 0.6403 NPC22079
Remote Similarity 0.6393 NPC474430
Remote Similarity 0.6391 NPC314192
Remote Similarity 0.6391 NPC103292
Remote Similarity 0.6389 NPC315348
Remote Similarity 0.6389 NPC470301
Remote Similarity 0.6389 NPC316811
Remote Similarity 0.6389 NPC32002
Remote Similarity 0.6387 NPC271797
Remote Similarity 0.6387 NPC21174
Remote Similarity 0.6364 NPC474582
Remote Similarity 0.6364 NPC225319
Remote Similarity 0.6358 NPC325903
Remote Similarity 0.6357 NPC475450
Remote Similarity 0.6348 NPC173991
Remote Similarity 0.6346 NPC475420
Remote Similarity 0.6343 NPC48564
Remote Similarity 0.6343 NPC182570
Remote Similarity 0.6343 NPC265605
Remote Similarity 0.6343 NPC39818
Remote Similarity 0.6329 NPC474897
Remote Similarity 0.6324 NPC476322
Remote Similarity 0.6323 NPC282339
Remote Similarity 0.6323 NPC99632
Remote Similarity 0.632 NPC20322
Remote Similarity 0.6312 NPC329688
Remote Similarity 0.6312 NPC189812
Remote Similarity 0.6309 NPC201380
Remote Similarity 0.6309 NPC179787
Remote Similarity 0.6299 NPC41257
Remote Similarity 0.6299 NPC36495
Remote Similarity 0.6299 NPC193410
Remote Similarity 0.6296 NPC329825
Remote Similarity 0.6291 NPC122106
Remote Similarity 0.6291 NPC285381
Remote Similarity 0.6286 NPC69914
Remote Similarity 0.6282 NPC478182
Remote Similarity 0.628 NPC256288
Remote Similarity 0.6279 NPC57051
Remote Similarity 0.6276 NPC471574
Remote Similarity 0.6276 NPC73767
Remote Similarity 0.6273 NPC121903
Remote Similarity 0.6267 NPC318086
Remote Similarity 0.6267 NPC321911
Remote Similarity 0.6267 NPC473329
Remote Similarity 0.6266 NPC475248
Remote Similarity 0.6266 NPC63047
Remote Similarity 0.6258 NPC44773
Remote Similarity 0.6258 NPC215584
Remote Similarity 0.6258 NPC248117
Remote Similarity 0.625 NPC242269
Remote Similarity 0.625 NPC83214
Remote Similarity 0.625 NPC290094
Remote Similarity 0.6242 NPC478186
Remote Similarity 0.6242 NPC63545

Drug Structure

External Identifiers

TTD   DAP000293
DrugBank   DB06148
ChEMBL   CHEMBL6437
IUPHAR/BPS   135
PharmaGKB   PA134687937
KEGG Drug  
PubChem CID   4184
ChEBI   51137
CAS Number  24219-97-4

Drug Properties

Molecular Weight  264.16
ALogP  0.5693
MLogP  3.22
XLogP  4.72
HDA  2
HBD  0
Rotatable Bonds  1
TPSA  6.48
RO5 Violation  0