SCHEMBL4091612

SCHEMBL4091612

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC(=O)NCc5nc6c(C(F)(F)F)cccc6n5C)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.57
SRD5A2 P31213 1/20 0.43
KCNH2 Q12809 6/20 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
SCHEMBL4080464 0.86 AR (0.49) ARSRD5A2KCNH2
SCHEMBL4082848 0.86 AR (0.67) ARSRD5A2KCNH2
SCHEMBL4081425 0.82 AR (0.55) ARSRD5A2KCNH2
SCHEMBL4086544 0.81 AR (0.56) ARSRD5A2KCNH2
SCHEMBL4087751 0.81 AR (0.53) ARSRD5A2KCNH2
SCHEMBL4087744 0.80 AR (0.58) ARSRD5A2KCNH2
SCHEMBL14271704 0.80 AR (0.60) ARSRD5A2KCNH2
SCHEMBL4630379 0.80 AR (0.60) ARSRD5A2KCNH2
SCHEMBL4084737 0.80 AR (0.53) ARSRD5A2KCNH2
SCHEMBL4077889 0.80 AR (0.57) ARSRD5A2KCNH2

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-7482357-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US disclosed