SCHEMBL9116882

SCHEMBL9116882

CNC(=O)C1CC[C@H]2[C@@H]3CC=C4NC(=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 0.56
SRD5A2 P31213 13/20 0.51

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
SCHEMBL6432037 0.89 SRD5A2 (0.66) SRD5A1SRD5A2
SCHEMBL6545719 0.89 SRD5A2 (0.66) SRD5A1SRD5A2
SCHEMBL14359642 0.88 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL13603460 0.88 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL14477860 0.88 LMNA (0.59) SRD5A1SRD5A2
SCHEMBL12423999 0.88 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL12090681 0.88 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL14185033 0.88 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL4421313 0.88 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL14359473 0.88 LMNA (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646007-A4 1995-04-26 EP disclosed
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 disclosed