SCHEMBL4410465

SCHEMBL4410465

Cc1ccc(-c2c(CN)c(C)nc3c2CN(C[C@@H]2CCCO2)C3=O)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.58
DPP8 Q6V1X1 18/20 0.57
DPP9 Q86TI2 16/20 0.57
CYP3A4 P08684 6/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL2704207 0.93 DPP4 (0.68) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2704211 0.93 DPP4 (0.68) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2702857 0.81 DPP4 (0.53) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2702862 0.81 DPP4 (0.53) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2703367 0.81 DPP4 (0.53) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL293982 0.78 DPP4 (0.55) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL293981 0.78 DPP4 (0.55) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL4407948 0.75 DPP4 (0.75) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2703408 0.73 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2702806 0.73 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C19

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-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed