SCHEMBL8766074

SCHEMBL8766074

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(=Cc3ncc[nH]3)CC[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.49
SRD5A2 P31213 1/20 0.49

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
SCHEMBL8766065 1.00 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8925323 0.84 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8925318 0.84 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8540832 0.81 AR (0.52)
SCHEMBL8540829 0.81 AR (0.52)
SCHEMBL8543099 0.81 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL9116113 0.81 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8543103 0.81 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL9116110 0.81 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8765326 0.80 SRD5A1 (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646007-B1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO INC (US) 1997-08-13 EP claimed
EP-0646007-A4 1995-04-26 EP claimed
EP-0646007-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17-g(b)-SUBSTITUTED-4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-04-05 EP claimed
WO-1993023050-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed