SCHEMBL4621251

SCHEMBL4621251

CC(C)(C)C(NC(=O)O)c1nnc(CN(CC(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)o1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.47
PGR P06401 1/20 0.47
S1PR1 P21453 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34

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 0.84 AR (0.44) ARPGRS1PR1RXRARXRB
SCHEMBL4150859 0.81 AR (0.49) ARPGRRXRARXRBRXRG
SCHEMBL4145111 0.77 AR (0.49) ARPGR
SCHEMBL4151282 0.77 AR (0.46) ARPGR
SCHEMBL13777383 0.77 AR (0.46) ARPGR
SCHEMBL13777382 0.77 AR (0.46) ARPGR
SCHEMBL4619748 0.76 AR (0.43) ARPGRS1PR1RXRARXRB
SCHEMBL13777373 0.76 AR (0.49) ARPGR
SCHEMBL4144920 0.76 AR (0.49) ARPGR
SCHEMBL13777377 0.76 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 4 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
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO disclosed