SCHEMBL2724038

SCHEMBL2724038

COc1c(OC2CCN(C(=O)O)CC2)ncnc1-n1ccc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.47
CYP2C9 P11712 3/20 0.44
KCNH2 Q12809 1/20 0.42

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
SCHEMBL8532479 0.77 GPR119 (0.45) GPR119
SCHEMBL1071669 0.76 GPR119 (0.58) GPR119CYP2C9KCNH2
SCHEMBL15253092 0.72 GPR119 (0.37) GPR119
SCHEMBL15253185 0.71 GPR119 (0.44) GPR119
SCHEMBL299567 0.71 GPR119 (0.39) GPR119
SCHEMBL299568 0.71 GPR119 (0.39) GPR119
SCHEMBL4483371 0.71 GPR119 (0.84) GPR119CYP2C9
SCHEMBL288499 0.70 GPR119 (0.41) GPR119CYP2C9KCNH2
SCHEMBL3244099 0.70 GPR119 (0.70) GPR119CYP2C9
SCHEMBL288167 0.70 GPR119 (0.70) GPR119CYP2C9KCNH2

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
WO-2012025811-A1 INDOLYLPYRIMIDINES AS MODULATORS OF GPR119 LUPIN LIMITED (IN) 2012-03-01 WO disclosed