SCHEMBL8009481

SCHEMBL8009481

c1ccc2c(c1)CCC1=C2CCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.59
SRD5A1 P18405 3/20 0.55
CYP2A6 P11509 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
SETD7 Q8WTS6 1/20 0.45
CYP19A1 P11511 2/20 0.44
CYP11B2 P19099 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11671192 1.00 CES1 (0.59) CES1SRD5A1CYP2A6MAOAMAOB
SCHEMBL11671185 1.00 CES1 (0.59) CES1SRD5A1CYP2A6MAOAMAOB
Dihydrophenanthrene SCHEMBL155991 0.84 CES1 (0.68) CES1SRD5A1CYP2A6MAOAMAOB
Dihydrophenanthrene SCHEMBL29404495 0.84 CES1 (0.68) CES1SRD5A1CYP2A6MAOAMAOB
Dihydrophenanthrene SCHEMBL30297028 0.84 CES1 (0.68) CES1SRD5A1CYP2A6MAOAMAOB
SCHEMBL110502 0.83 CES1 (0.48) CES1SRD5A1CYP2A6MAOAMAOB
Dihydrophenanthrene SCHEMBL28858771 0.81 CES1 (0.65) CES1SRD5A1CYP2A6MAOAMAOB
SCHEMBL30436624 0.81 CES1 (0.65) CES1SRD5A1CYP2A6MAOAMAOB
Dihydrophenanthrene SCHEMBL28876918 0.81 CES1 (0.65) CES1SRD5A1CYP2A6MAOAMAOB
SCHEMBL16886044 0.81 CYP19A1 (0.53) CES1SRD5A1MAOAMAOBCYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107163246-A Reversible thermal contraction polyarylamide of backbone chain type octatomic ring containing dibenzo structure and preparation method thereof 复旦大学 2017-09-15 CN claimed
CN-107163246-A Reversible thermal contraction polyarylamide of backbone chain type octatomic ring containing dibenzo structure and preparation method thereof 复旦大学 2017-09-15 CN disclosed
CN-103012292-B Synthetic method of dibenzanthracene [b,f][1,2] diazocine UNIV CHANGZHOU 2014-12-31 CN disclosed
CN-101970572-B Photocurable composition SEKISUI CHEMICAL CO LTD 2014-01-29 CN disclosed
CN-103012292-A Synthetic method of dibenzanthracene [b,f][1,2] diazocine UNIV CHANGZHOU 2013-04-03 CN disclosed
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed
CN-1380883-A Novel derivatives and analogues of galanthamine SANOCHEMIA PHARMAZEUTIKA AG (AT) 2002-11-20 CN disclosed
CN-1064354-C Antimicrobial 5- (N-heterosubstituted amino) quinolones and pharmaceutical compositions AMERICAN CYANAMID CO (US) 2001-04-11 CN disclosed
WO-2000019994-A9 ESTROGEN RECEPTOR LIGANDS UNIV ILLINOIS (US) 2000-08-31 WO disclosed
WO-2000019994-A1 ESTROGEN RECEPTOR LIGANDS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-04-13 WO disclosed
CN-1038839-C Process for preparation of cyclic amine compounds EISAI CO LTD (JP) 1998-06-24 CN disclosed
CN-1164856-A Novel alkylamino derivatives as sigma 2 selective ligands MITSUBISHI CHEM CORP (JP) 1997-11-12 CN disclosed
CN-1034015-C Process to prepare cycloamine compounds EISAI CO LTD (JP) 1997-02-12 CN disclosed
CN-1106802-A Tricyclic benzazepines (aza *) vasopressin antagonists AMERICAN CYANAMID CO (US) 1995-08-16 CN disclosed
CN-1104211-A Tricyclic condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-06-28 CN disclosed
CN-1103534-A Compound with antipsychotic effect MEIJI SEIKA CO (JP) 1995-06-07 CN disclosed
CN-1024547-C Preparation method of cyclic amine compound EISAI CO LTD (JP) 1994-05-18 CN disclosed
CN-1073939-A A kind of preparation method of cyclic amine compound EISAI CO LTD (JP) 1993-07-07 CN disclosed
CN-1071417-A The preparation method of cyclic amine compound EISAI CO LTD (JP) 1993-04-28 CN disclosed
CN-1030752-A Preparation method of cyclic amine compound EISAI CO LTD (JP) 1989-02-01 CN disclosed