SCHEMBL4602995

SCHEMBL4602995

N#Cc1cccc(CCOc2ccc(C#N)c(C(F)(F)F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.49
PGR P06401 2/20 0.43
GPR84 Q9NQS5 1/20 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
SCHEMBL4601213 0.87 AR (0.55) AR
SCHEMBL4603898 0.87 AR (0.64) ARPGR
SCHEMBL4602186 0.87 AR (0.54) AR
SCHEMBL4603925 0.87 AR (0.64) ARGPR84
SCHEMBL4201441 0.86 AR (0.49) ARPGR
SCHEMBL4191279 0.86 AR (0.59) ARPGR
SCHEMBL4603692 0.82 AR (0.55) AR
SCHEMBL4601355 0.81 AR (0.53) AR
SCHEMBL4603933 0.81 AR (0.52) ARGPR84
SCHEMBL13780061 0.81 AR (0.46) ARPGR

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
EP-1915338-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2008-04-30 EP disclosed
WO-2007017754-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2007-02-15 WO disclosed