SCHEMBL8895974

SCHEMBL8895974

C[C@]12C=CC(=O)NC1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(C(N)=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 14/20 0.57
SRD5A2 P31213 10/20 0.57

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
SCHEMBL8023777 0.83 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8006823 0.82 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8006820 0.82 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8021062 0.82 SRD5A2 (0.51) SRD5A1SRD5A2
SCHEMBL8023756 0.81 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8007037 0.81 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8016931 0.81 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8023100 0.81 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL797724 0.79 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL5803950 0.79 SRD5A1 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693810-A ENZYME INHIBITORS OF TESTOSTERONE-5ALPHA-REDUCTASE TO PREVENT OR LESSEN SYMPTOMS OF DIHYDROTESTOSTERONE-RELATED HYPERANDROGENIC CONDITIONS, E.G. PROSTATE PROBLEMS, SKIN DISORDERS MERCK & CO., INC. (US) 1997-12-02 US claimed
EP-0663924-A4 17-g(b)-CARBOXANILIDES OF 4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-10-04 EP claimed
EP-0663924-A1 17$g(b)-CARBOXANILIDES OF 4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-07-26 EP claimed
WO-1994007861-A1 17β-CARBOXANILIDES OF 4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1994-04-14 WO claimed