SCHEMBL6828173

SCHEMBL6828173

C[N+](C)(CCc1coc(-c2ccccc2)n1)CC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.44
DPP7 Q9UHL4 4/20 0.43
PREP P48147 6/20 0.43
DPP8 Q6V1X1 3/20 0.43
DPP9 Q86TI2 2/20 0.43
FAP Q12884 1/20 0.43

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
SCHEMBL4593481 1.00 DPP4 (0.44) DPP4DPP7PREPDPP8DPP9
SCHEMBL6830113 0.83 HRH3 (0.48) DPP4DPP7PREPDPP8DPP9
SCHEMBL4594280 0.83 HRH3 (0.48) DPP4DPP7PREPDPP8DPP9
SCHEMBL6830342 0.83 DPP4 (0.47) DPP4DPP7PREPDPP8DPP9
SCHEMBL4594291 0.83 DPP4 (0.47) DPP4DPP7PREPDPP8DPP9
SCHEMBL666251 0.79 DPP4 (0.67) DPP4DPP7DPP8DPP9
SCHEMBL6828026 0.78 DPP4 (0.47) DPP4DPP7PREPDPP8DPP9
SCHEMBL6827791 0.78 DPP4 (0.46) DPP4DPP7PREPDPP8DPP9
SCHEMBL4593886 0.78 DPP4 (0.46) DPP4DPP7PREPDPP8DPP9
SCHEMBL4594463 0.78 DPP4 (0.47) DPP4DPP7PREPDPP8DPP9

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-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed