SCHEMBL8498772

SCHEMBL8498772

CC(C)SCC(=O)NC(C)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.58
SRD5A2 P31213 1/20 0.56
KCNH2 Q12809 6/20 0.52

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
SCHEMBL8498770 1.00 AR (0.58) ARSRD5A2KCNH2
SCHEMBL8079142 0.85 AR (0.63) ARSRD5A2KCNH2
SCHEMBL8079140 0.85 AR (0.63) ARSRD5A2KCNH2
SCHEMBL8525379 0.85 AR (0.58) ARSRD5A2KCNH2
SCHEMBL8525376 0.85 AR (0.58) ARSRD5A2KCNH2
SCHEMBL8499341 0.85 AR (0.58) ARSRD5A2KCNH2
SCHEMBL8071699 0.84 AR (0.60) ARSRD5A2KCNH2
SCHEMBL8071703 0.84 AR (0.60) ARSRD5A2KCNH2
SCHEMBL8495815 0.84 AR (0.62) ARSRD5A2KCNH2
SCHEMBL8498680 0.82 SRD5A1 (0.58) SRD5A2

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
EP-0649431-B1 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-08-11 EP claimed
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