SCHEMBL8892698

SCHEMBL8892698

C[C@]12C=CC(=O)N(c3ccc(O)cc3)[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(N)=O)CC[C@@H]12

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.51
SRD5A1 P18405 2/20 0.49
SRD5A2 P31213 1/20 0.48
KCNH2 Q12809 1/20 0.46

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
SCHEMBL8895980 0.89 SRD5A1 (0.49) ARSRD5A1SRD5A2KCNH2
SCHEMBL5211247 0.83 AR (0.54) ARSRD5A1SRD5A2KCNH2
SCHEMBL9116041 0.83 AR (0.51) ARSRD5A1SRD5A2KCNH2
SCHEMBL7615006 0.83 AR (0.72) ARSRD5A2KCNH2
SCHEMBL7614998 0.83 AR (0.72) ARSRD5A2KCNH2
SCHEMBL5248685 0.80 AR (0.53) ARSRD5A1SRD5A2
SCHEMBL9022119 0.79 SRD5A2 (0.56) ARSRD5A1SRD5A2
SCHEMBL7080627 0.79 SRD5A1 (0.65) ARSRD5A1SRD5A2
SCHEMBL5214662 0.79 SRD5A1 (0.65) ARSRD5A1SRD5A2
SCHEMBL9653487 0.79 AR (0.66) ARSRD5A1SRD5A2KCNH2

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 1 patent. 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 disclosed