SCHEMBL9542228

SCHEMBL9542228

C[C@]12CC[C@H]3[C@@H](CC[C@H]4NCCC(=O)[C@@]43C)[C@@H]1CC[C@@H]2C(=S)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.41
SRD5A2 P31213 7/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL9542235 1.00 SRD5A1 (0.41) SRD5A1SRD5A2AR
SCHEMBL7142783 0.83 SRD5A2 (0.61) SRD5A1SRD5A2AR
SCHEMBL7624258 0.83 SRD5A2 (0.61) SRD5A1SRD5A2AR
SCHEMBL8611670 0.74 SRD5A2 (0.65) SRD5A2
SCHEMBL8611675 0.74 SRD5A2 (0.65) SRD5A2
SCHEMBL9328395 0.73 SRD5A2 (0.61) SRD5A1SRD5A2
SCHEMBL9417979 0.71 AR (0.49) SRD5A2AR
SCHEMBL9457741 0.69 SRD5A2 (0.39) SRD5A1SRD5A2
SCHEMBL8158262 0.69 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8158267 0.69 SRD5A1 (0.66) 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
WO-1993014762-A1 17β-HYDROXYBENZOYL-4-AZA-5α-ANDROST-1-EN-3-ONES USEFUL TO TREAT BALDNESS MERCK & CO., INC. (US) 1993-08-05 WO disclosed
EP-0414490-A2 17 Beta-acyl-4-aza-5 alpha-androst-1-ene-3-one as 5 alpha-reductase inhibitors MERCK & CO. INC. (US) 1991-02-27 EP disclosed