SCHEMBL8927173

SCHEMBL8927173

CC1C[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1COC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.50
SRD5A2 P31213 4/20 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
SCHEMBL8073677 0.85 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8927203 0.83 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8927207 0.83 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8924935 0.82 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8924937 0.82 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8924908 0.80 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8924911 0.80 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8926450 0.80 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8926443 0.80 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8074936 0.80 SRD5A1 (0.62) 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
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed