SCHEMBL8794480

SCHEMBL8794480

C[C@]12C=C(c3ccccn3)C(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)S)CC[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 16/20 0.49
SRD5A2 P31213 10/20 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
SCHEMBL7756411 1.00 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL7755258 0.77 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL8894380 0.77 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL8573691 0.74 SRD5A2 (0.74) SRD5A1SRD5A2
SCHEMBL8158267 0.73 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8158262 0.73 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8023774 0.73 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8777228 0.71 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL8409235 0.71 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL7621779 0.71 SRD5A1 (0.63) 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 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