SCHEMBL1376534

SCHEMBL1376534

CCC(C(=O)OCC(C)C)N(CC(F)(F)F)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.63
PGR P06401 1/20 0.63
S1PR1 P21453 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL1380657 0.91 AR (0.50) ARPGR
SCHEMBL1380583 0.88 PGR (0.48) ARPGR
SCHEMBL1376531 0.87 AR (0.61) ARPGRRXRARXRBRXRG
SCHEMBL1380476 0.86 AR (0.66) ARPGRS1PR1RXRARXRB
SCHEMBL1378690 0.85 AR (0.65) ARPGRS1PR1RXRARXRB
SCHEMBL4596252 0.85 AR (0.65) ARPGRS1PR1RXRARXRB
SCHEMBL4595360 0.85 AR (0.65) ARPGRS1PR1RXRARXRB
SCHEMBL3287894 0.84 AR (0.77) ARPGRS1PR1RXRARXRB
SCHEMBL4594322 0.84 AR (0.69) ARPGRS1PR1RXRARXRB
SCHEMBL4906899 0.83 AR (0.66) ARPGRS1PR1RXRARXRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805909-B2 2011-11-02 JP claimed
EP-1725522-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-29 EP claimed
WO-2005085185-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO claimed
EP-1725522-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-29 EP disclosed
WO-2005085185-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO disclosed