SCHEMBL8795547

SCHEMBL8795547

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)Sc5ccccn5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.56
SRD5A2 P31213 2/20 0.56

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
SCHEMBL9318810 0.87 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL13611192 0.85 SRD5A1 (0.40) SRD5A1SRD5A2
SCHEMBL13603641 0.85 SRD5A1 (0.40) SRD5A1SRD5A2
SCHEMBL4176860 0.85 AR (0.40)
SCHEMBL14544277 0.85 AR (0.40)
SCHEMBL13604101 0.85 AR (0.40)
SCHEMBL7621273 0.84 SRD5A1 (0.39) SRD5A1SRD5A2
SCHEMBL7616401 0.83 AR (0.58) SRD5A2
SCHEMBL14504017 0.83 AR (0.58) SRD5A2
SCHEMBL8536963 0.83 AKR1B10 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607400-B1 Fluorinated 17-beta substituted-4-aza-5-alpha- andostran-3one derivatives. PHARMACIA & UPJOHN SPA (IT) 1997-11-05 EP disclosed
US-5407939-A Inhibitors of androgen action by means of testosterone 5alpha-reductase inhibition FARMITALIA CARLO ERBA S.R.L. (IT) 1995-04-18 US disclosed
WO-1994003475-A1 FLUORINATED 17β-SUBSTITUTED 4-AZA-5α-ANDROSTAN-3-ONE DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1994-02-17 WO disclosed