SCHEMBL4619748

SCHEMBL4619748

CC(C)(C)C(Cc1nc(CN(CC(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)no1)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.43
PGR P06401 1/20 0.43
S1PR1 P21453 1/20 0.34
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
GCGR P47871 1/20 0.32
GIPR P48546 1/20 0.32

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
SCHEMBL4619621 0.85 AR (0.44) ARPGRS1PR1RXRARXRB
SCHEMBL4140569 0.83 AR (0.45) ARPGRRXRARXRBRXRG
SCHEMBL4153666 0.81 AR (0.45) ARPGRRXRARXRBRXRG
SCHEMBL4146432 0.81 AR (0.46) ARPGR
SCHEMBL4138496 0.80 AR (0.42) ARPGRRXRARXRBRXRG
SCHEMBL4145386 0.80 AR (0.44) ARPGRRXRARXRBRXRG
SCHEMBL4153588 0.80 AR (0.43) ARPGRRXRARXRBRXRG
SCHEMBL13777361 0.80 AR (0.42) ARPGR
SCHEMBL4140658 0.80 AR (0.42) ARPGRRXRARXRBRXRG
SCHEMBL4145576 0.79 AR (0.41) ARPGRRXRARXRBRXRG

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-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP claimed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed