SCHEMBL5187409

SCHEMBL5187409

Cc1nc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)cc1CN

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.44
DPP8 Q6V1X1 6/20 0.43
DPP9 Q86TI2 2/20 0.41
CRHR1 P34998 1/20 0.39

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
Hydrochloric Acid SCHEMBL4913608 0.99 DPP4 (0.43) DPP4DPP8DPP9CRHR1
SCHEMBL4934709 0.92 DPP4 (0.48) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL4918479 0.91 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL5202471 0.86 DPP4 (0.55) DPP4DPP8DPP9CRHR1
Hydrochloric Acid SCHEMBL4912438 0.85 DPP4 (0.54) DPP4DPP8DPP9CRHR1
SCHEMBL3102348 0.84 DPP4 (0.41) DPP4DPP8DPP9CRHR1
SCHEMBL4911607 0.81 HSD11B1 (0.43) DPP4DPP8DPP9CRHR1
SCHEMBL19835409 0.80 MALT1 (0.50) DPP4DPP8DPP9CRHR1
SCHEMBL4911902 0.80 MALT1 (0.43) DPP4DPP8CRHR1
SCHEMBL4505429 0.77 DHODH (0.50) DPP4DPP8

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-1805143-A1 PYRIDINE DERIVATIVES AND THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-07-11 EP disclosed
WO-2006042955-A1 PYRIDINE DERIVATIVES AND THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-04-27 WO disclosed