SCHEMBL8996754

SCHEMBL8996754

CC1CC2N(C)C(=O)CC(Oc3ccc(N)cc3)[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 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
SCHEMBL8642307 0.91 SRD5A1 (0.32) SRD5A1SRD5A2
SCHEMBL8633124 0.91 SRD5A1 (0.33) SRD5A1SRD5A2
SCHEMBL8637608 0.89 TRPC6 (0.34) SRD5A1SRD5A2
SCHEMBL8639398 0.89 MMP12 (0.30)
SCHEMBL8636806 0.89 GPR119 (0.33)
SCHEMBL8632775 0.88
SCHEMBL8523650 0.88
SCHEMBL8677090 0.84 CHRNB2 (0.32) SRD5A1SRD5A2
SCHEMBL8522986 0.83 SRD5A1 (0.35) SRD5A1SRD5A2
SCHEMBL8679405 0.83 OPRM1 (0.34)

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 2 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 disclosed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO disclosed