SCHEMBL8903159

SCHEMBL8903159

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(NC(=O)c5ccsc5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.53
SRD5A2 P31213 2/20 0.53

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
SCHEMBL8903165 1.00 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8903637 1.00 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8902453 0.87 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8908656 0.87 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8903246 0.85 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8903241 0.85 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8904252 0.83 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8904249 0.83 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8903926 0.83 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8903931 0.83 SRD5A1 (0.53) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

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