SCHEMBL4551019

SCHEMBL4551019

CCS(=O)(=O)c1ncc2c(n1)CN(C(=O)C[C@@H](Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.43
DPP8 Q6V1X1 18/20 0.43
DPP7 Q9UHL4 16/20 0.43
DPP9 Q86TI2 11/20 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
SCHEMBL4551022 1.00 DPP4 (0.43) DPP4DPP8DPP7DPP9
SCHEMBL4388599 0.87 DPP4 (0.43) DPP4DPP8DPP7DPP9
SCHEMBL4872743 0.81 DPP4 (0.47) DPP4DPP8DPP7DPP9
SCHEMBL4866727 0.80 DPP4 (0.45) DPP4DPP8DPP7DPP9
SCHEMBL4392074 0.79 DPP4 (0.44) DPP4DPP8DPP7DPP9
SCHEMBL4870281 0.79 DPP4 (0.45) DPP4DPP8DPP7DPP9
SCHEMBL4400354 0.77 DPP4 (0.49) DPP4DPP8DPP7DPP9
SCHEMBL4390457 0.77 MAPK1 (0.38) DPP4DPP8DPP7DPP9
SCHEMBL1509221 0.75 DPP4 (0.44) DPP4DPP8DPP7DPP9
SCHEMBL5038240 0.74 DPP4 (0.44) DPP4DPP8DPP7DPP9

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-1554256-B1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2009-12-09 EP disclosed