SCHEMBL8650465

SCHEMBL8650465

CC1CC(O)[C@@]2(C)CC[C@@H]3[C@@H](CCC4NC(=O)CC[C@@]43C)[C@H]12

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.53
SRD5A1 P18405 4/20 0.52
AR P10275 1/20 0.48

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
SCHEMBL8650463 1.00 SRD5A2 (0.53) SRD5A2SRD5A1AR
SCHEMBL8648191 0.85 SRD5A1 (0.52) SRD5A2SRD5A1AR
SCHEMBL8648194 0.85 SRD5A1 (0.52) SRD5A2SRD5A1AR
SCHEMBL5682764 0.81 SRD5A2 (0.64) SRD5A2SRD5A1AR
SCHEMBL4269548 0.81 SRD5A2 (0.64) SRD5A2SRD5A1AR
SCHEMBL4278292 0.81 SRD5A2 (0.64) SRD5A2SRD5A1AR
SCHEMBL4269554 0.81 SRD5A2 (0.64) SRD5A2SRD5A1AR
SCHEMBL8650910 0.80 SRD5A2 (0.53) SRD5A2SRD5A1AR
SCHEMBL8650908 0.80 SRD5A2 (0.53) SRD5A2SRD5A1AR
SCHEMBL8650574 0.79 SRD5A1 (0.46) SRD5A2SRD5A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700291-B1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO INC (US) 1998-09-16 EP claimed
WO-1994020104-A1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO, INC. (US) 1994-09-15 WO claimed
EP-0700291-B1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO INC (US) 1998-09-16 EP disclosed
EP-0700291-A4 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO INC (US) 1996-07-03 EP disclosed
EP-0700291-A1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO. INC. (US) 1996-03-13 EP disclosed
US-5359071-A Selective antagonist of testosterone 5-alpha-reductase 1 MERCK & CO., INC. (US) 1994-10-25 US disclosed
WO-1994020104-A1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO, INC. (US) 1994-09-15 WO disclosed