SCHEMBL8996732

SCHEMBL8996732

CC1C(Cc2ccccc2)C2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 10/20 0.38
SRD5A2 P31213 7/20 0.36
CYP19A1 P11511 8/20 0.34

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
SCHEMBL8996747 1.00 SRD5A1 (0.38) SRD5A1SRD5A2CYP19A1
SCHEMBL8524594 0.91 KDM4E (0.35) SRD5A1SRD5A2CYP19A1
SCHEMBL8337551 0.91 SRD5A1 (0.33) SRD5A1SRD5A2CYP19A1
SCHEMBL8337553 0.91 SRD5A1 (0.33) SRD5A1SRD5A2CYP19A1
SCHEMBL8523867 0.89 HRH3 (0.35) SRD5A1CYP19A1
SCHEMBL8996758 0.84 SRD5A1 (0.36) SRD5A1SRD5A2CYP19A1
SCHEMBL8996766 0.84 SRD5A1 (0.36) SRD5A1SRD5A2CYP19A1
SCHEMBL8996741 0.83 SRD5A1 (0.38) SRD5A1SRD5A2CYP19A1
SCHEMBL8996737 0.83 SRD5A1 (0.38) SRD5A1SRD5A2CYP19A1
SCHEMBL8524175 0.81 SRD5A1 (0.36) SRD5A1SRD5A2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 EP claimed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO claimed
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 EP disclosed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO disclosed