SCHEMBL5239338

SCHEMBL5239338

CCc1nc(CC(C)C)c(CN(C(=O)OCC(=O)Oc2c(CC)nc(CC(C)C)c(CN)c2-c2ccc(C)cc2)C(C)(C)C)c(-c2ccc(C)cc2)c1CC#N

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.41
DPP9 Q86TI2 4/20 0.41
DPP8 Q6V1X1 3/20 0.41

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
SCHEMBL5239332 0.82 DPP4 (0.58) DPP4DPP9DPP8
SCHEMBL5455468 0.75 DPP4 (0.43) DPP4DPP9DPP8
SCHEMBL5239109 0.73 DPP4 (0.58) DPP4DPP9DPP8
SCHEMBL5456723 0.72 DPP4 (0.51) DPP4DPP9DPP8
SCHEMBL4122572 0.71 DPP4 (0.46) DPP4DPP9DPP8
SCHEMBL5244235 0.71 DPP4 (0.56) DPP4DPP9DPP8
SCHEMBL5242879 0.70 DPP4 (0.45) DPP4DPP9DPP8
SCHEMBL5740441 0.69 DPP4 (0.64) DPP4DPP9DPP8
SCHEMBL5243544 0.69 DPP4 (0.61) DPP4DPP9DPP8
SCHEMBL5454343 0.69 DPP4 (0.65) DPP4DPP9DPP8

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-1851202-A1 PYRIDYL ACETIC ACID COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2007-11-07 EP disclosed
WO-2006090915-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-31 WO disclosed