SCHEMBL5987970

SCHEMBL5987970

CC(C)COC(=O)CN(CC(C)C)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.50
PGR P06401 2/20 0.50
S1PR1 P21453 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL1379986 0.89 AR (0.50) ARPGRS1PR1RXRARXRB
SCHEMBL5191017 0.88 AR (0.47) ARPGRS1PR1RXRARXRB
SCHEMBL3291502 0.87 AR (0.50) ARPGRS1PR1RXRARXRB
SCHEMBL3289697 0.85 AR (0.55) ARPGRS1PR1RXRARXRB
SCHEMBL3289642 0.84 AR (0.54) ARPGRS1PR1RXRARXRB
SCHEMBL13326442 0.83 AR (0.53) ARPGRS1PR1RXRARXRB
SCHEMBL5193065 0.83 AR (0.44) ARPGR
SCHEMBL1378445 0.80 AR (0.44) ARPGR
SCHEMBL13070686 0.78 RORC (0.48) ARPGR
SCHEMBL3054642 0.78 AR (0.59) 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-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