SCHEMBL8077679

SCHEMBL8077679

CC(NC(=O)Nc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.57
SRD5A2 P31213 2/20 0.55
KCNH2 Q12809 3/20 0.52
SRD5A1 P18405 2/20 0.47

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
SCHEMBL8077683 1.00 AR (0.57) ARSRD5A2KCNH2SRD5A1
SCHEMBL8079140 0.88 AR (0.63) ARSRD5A2KCNH2
SCHEMBL8079142 0.88 AR (0.63) ARSRD5A2KCNH2
SCHEMBL14184873 0.84 AR (0.61) ARSRD5A2KCNH2SRD5A1
SCHEMBL2639164 0.84 AR (0.61) ARSRD5A2KCNH2SRD5A1
SCHEMBL4799106 0.84 AR (0.61) ARSRD5A2KCNH2SRD5A1
SCHEMBL4797509 0.84 AR (0.61) ARSRD5A2KCNH2SRD5A1
SCHEMBL8072417 0.84 SRD5A1 (0.58) SRD5A2SRD5A1
SCHEMBL8072419 0.84 SRD5A1 (0.58) SRD5A2SRD5A1
SCHEMBL8498403 0.84 AR (0.51) ARSRD5A2KCNH2SRD5A1

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
EP-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP claimed