SCHEMBL8533860

SCHEMBL8533860

C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NCc1ccco1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 20/20 0.77

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
SCHEMBL8612777 0.87 SRD5A2 (1.00) SRD5A2
SCHEMBL8612779 0.87 SRD5A2 (1.00) SRD5A2
SCHEMBL9269365 0.84 SRD5A2 (0.78) SRD5A2
SCHEMBL8533823 0.82 SRD5A2 (0.83) SRD5A2
SCHEMBL9296418 0.82 SRD5A2 (0.78) SRD5A2
SCHEMBL8654176 0.80 SRD5A2 (0.71) SRD5A2
SCHEMBL8529275 0.80 SRD5A2 (0.71) SRD5A2
SCHEMBL8612171 0.79 SRD5A2 (1.00) SRD5A2
SCHEMBL8615409 0.79 SRD5A2 (1.00) SRD5A2
SCHEMBL8587070 0.79 SRD5A2 (0.84) SRD5A2

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-0674651-B1 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC (US) 1998-10-28 EP disclosed
US-5708001-A TESTOSTERONE-5A-REDUCTASE INHIBITORS GLAXO WELLCOME INC. (US) 1998-01-13 US disclosed
WO-1994014833-A2 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1994-07-07 WO disclosed