SCHEMBL8910083

SCHEMBL8910083

CC(C)CCC(=O)NC1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.62
SRD5A2 P31213 2/20 0.61

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
SCHEMBL8910090 1.00 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8903694 0.85 SRD5A2 (0.60) SRD5A1SRD5A2
SCHEMBL8903698 0.85 SRD5A2 (0.60) SRD5A1SRD5A2
SCHEMBL8726930 0.84 HSD17B7 (0.53)
SCHEMBL8909245 0.84 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8909243 0.84 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8726935 0.84 HSD17B7 (0.53)
SCHEMBL8063835 0.84 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8063832 0.84 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8724708 0.84 SRD5A1 (0.60) SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 US disclosed
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. 1995-05-03 EP disclosed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 EP disclosed
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed