SCHEMBL6827791

SCHEMBL6827791

Cc1sc(-c2ccccc2)nc1CC[N+](C)(C)CC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.46
PREP P48147 9/20 0.44
DPP8 Q6V1X1 3/20 0.44
DPP7 Q9UHL4 3/20 0.44
DPP9 Q86TI2 2/20 0.44
FAP Q12884 1/20 0.44

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
SCHEMBL4593886 1.00 DPP4 (0.46) DPP4PREPDPP8DPP7DPP9
SCHEMBL4594291 0.84 DPP4 (0.47) DPP4PREPDPP8DPP7DPP9
SCHEMBL6830342 0.84 DPP4 (0.47) DPP4PREPDPP8DPP7DPP9
SCHEMBL4594687 0.83 DPP4 (0.66) DPP4PREPDPP8DPP7
SCHEMBL665215 0.83 DPP4 (0.66) DPP4PREPDPP8DPP7
SCHEMBL4594280 0.82 HRH3 (0.48) DPP4PREPDPP8DPP7DPP9
SCHEMBL6830113 0.82 HRH3 (0.48) DPP4PREPDPP8DPP7DPP9
SCHEMBL663002 0.79 DPP4 (0.68) DPP4DPP8DPP7DPP9
SCHEMBL4594174 0.78 PREP (0.45) DPP4PREPDPP8DPP7DPP9
SCHEMBL6828173 0.78 DPP4 (0.44) DPP4PREPDPP8DPP7DPP9

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