SCHEMBL6431503

SCHEMBL6431503

O=C1C=CN2[C@H](CC[C@@H]3CCCC[C@H]32)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
SRD5A1 P18405 4/20 0.36
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL6435004 1.00 SRD5A2 (0.47) SRD5A2SRD5A1OPRM1OPRK1OPRL1
SCHEMBL6431907 1.00 SRD5A2 (0.47) SRD5A2SRD5A1OPRM1OPRK1OPRL1
SCHEMBL6431812 0.80 SRD5A2 (0.42) SRD5A2SRD5A1
SCHEMBL6434024 0.72 SRD5A1 (0.35) SRD5A2SRD5A1
SCHEMBL6430872 0.71 SRD5A2 (0.46) SRD5A2SRD5A1
SCHEMBL6435587 0.68 SRD5A1 (0.39) SRD5A1
SCHEMBL6432312 0.67 OPRM1 (0.33) OPRM1OPRK1OPRL1
SCHEMBL6431337 0.63 SRD5A2 (0.39) SRD5A2SRD5A1
SCHEMBL2114822 0.63 CTDSP1 (0.49) SRD5A2SRD5A1
SCHEMBL11086770 0.61

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066284-B1 BENZO(C)QUINOLIZINE DERIVATIVES AND THEIR USE AS 5 ALPHA-REDUCTASES INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2005-08-31 EP claimed
US-6962925-B1 Benzo(C)quinolizine derivatives and their use as 5α-reductases inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-11-08 US disclosed
EP-1066284-B1 BENZO(C)QUINOLIZINE DERIVATIVES AND THEIR USE AS 5 ALPHA-REDUCTASES INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2005-08-31 EP disclosed