SCHEMBL1436352

SCHEMBL1436352

CC(C)(CNc1ncc(-c2cccc(C#N)c2)cn1)NCC(=O)N1CCCC1C#N

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.66
DPP7 Q9UHL4 1/20 0.55
DPP8 Q6V1X1 2/20 0.52
DPP9 Q86TI2 2/20 0.52

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
SCHEMBL666997 1.00 DPP4 (0.66) DPP4DPP7DPP8DPP9
SCHEMBL666582 0.90 DPP4 (0.77) DPP4DPP7DPP8DPP9
SCHEMBL666508 0.90 DPP4 (0.73) DPP4DPP7DPP8DPP9
SCHEMBL665379 0.90 DPP4 (0.67) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL1435740 0.90 DPP4 (0.76) DPP4DPP7DPP8DPP9
SCHEMBL4594211 0.89 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL663330 0.89 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL667346 0.84 DPP4 (0.65) DPP4DPP7DPP8DPP9
SCHEMBL666249 0.80 DPP4 (0.86) DPP4DPP7DPP8DPP9
SCHEMBL5660145 0.80 DPP4 (0.86) DPP4DPP7DPP8DPP9

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-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed