SCHEMBL12807245

SCHEMBL12807245

CNC(=O)c1cc(-c2ccc(Cl)cc2Cl)c(CN)c(C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 1.00
▸ DPP8 Q6V1X1 14/20 1.00
▸ DPP9 Q86TI2 9/20 0.49
▸ SCN10A Q9Y5Y9 1/20 0.49

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
SCHEMBL12807243 0.86 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL12807244 0.85 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL12807246 0.80 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL1677754 0.79 DPP4 (0.65) DPP4DPP8SCN10A
SCHEMBL8259038 0.79 DPP4 (0.75) DPP4DPP8DPP9
SCHEMBL12807365 0.71 DPP4 (0.58) DPP4DPP8DPP9
SCHEMBL4467599 0.70 DPP4 (0.59) DPP4DPP8
SCHEMBL1407569 0.70 DPP4 (0.78) DPP4DPP8DPP9
SCHEMBL8252803 0.69 DPP4 (0.77) DPP4DPP8DPP9
SCHEMBL8258935 0.69 DPP4 (0.76) DPP4DPP8DPP9

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-2308847-B1 Substituted pyridines as inhibitors of dipeptidyl peptidase IV and their application for the treatment of diabetes and related diseases EMC MICROCOLLECTIONS GMBH (DE) 2014-04-02 — — EP disclosed
EP-2308847-A1 Substituted pyridines as inhibitors of dipeptidyl peptidase IV and their application for the treatment of diabetes and related diseases EMC microcollections GmbH (DE) 2011-04-13 — — EP disclosed
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