SCHEMBL9570930

SCHEMBL9570930

CC1C(=O)C=C[C@@]2(C)[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Sc3ccccn3)CC[C@@H]12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 13/20 0.43
SRD5A2 P31213 9/20 0.43

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
SCHEMBL8409235 0.84 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL7621779 0.84 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL14504017 0.83 AR (0.58) SRD5A2
SCHEMBL7616401 0.83 AR (0.58) SRD5A2
SCHEMBL8536963 0.79 AKR1B10 (0.61)
SCHEMBL7622722 0.78 SRD5A2 (0.61) SRD5A1SRD5A2
SCHEMBL13604056 0.77 AR (0.58)
SCHEMBL4180533 0.77 AR (0.58)
SCHEMBL14590313 0.77 AR (0.58)
SCHEMBL8795547 0.77 SRD5A1 (0.56) 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-0547690-A1 Use of 17B-acyl-4-aza-5alpha-androst-1-en-3-ones for the preparation of a medicament for the prevention of prostatic carcinoma MERCK & CO. INC. (US) 1993-06-23 EP 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
EP-0414491-A2 17 Beta-acyl-4-aza-5 alpha-androst-1-ene-3-ones as 5 alpha-reductase inhibitors MERCK & CO. INC. (US) 1991-02-27 EP disclosed