SCHEMBL4427908

SCHEMBL4427908

COC(=O)Oc1cccc2c1ccn2-c1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 20/20 0.53
P2RY14 Q15391 2/20 0.53
P2RY2 P41231 1/20 0.53
KCNH2 Q12809 2/20 0.48

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
SCHEMBL1381324 0.92 P2RY1 (0.54) P2RY1P2RY14P2RY2KCNH2
SCHEMBL4424711 0.89 P2RY1 (0.55) P2RY1P2RY14P2RY2KCNH2
SCHEMBL4424620 0.87 P2RY1 (0.52) P2RY1P2RY14P2RY2KCNH2
SCHEMBL1380998 0.87 P2RY1 (0.54) P2RY1P2RY14P2RY2KCNH2
SCHEMBL4552189 0.86 P2RY1 (0.48) P2RY1P2RY14P2RY2KCNH2
SCHEMBL4423173 0.85 P2RY1 (0.51) P2RY1P2RY14P2RY2KCNH2
SCHEMBL4422591 0.81 P2RY1 (0.57) P2RY1P2RY14P2RY2
SCHEMBL4425574 0.79 P2RY1 (0.55) P2RY1P2RY14P2RY2
SCHEMBL4423200 0.79 P2RY1 (0.53) P2RY1P2RY14P2RY2
SCHEMBL4423719 0.79 P2RY1 (0.56) P2RY1P2RY14P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750704-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP claimed