SCHEMBL6828008

SCHEMBL6828008

C[N+](C)(CCNc1nc2ccccc2o1)CC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.45
PREP P48147 6/20 0.45
HCRTR1 O43613 2/20 0.44
DPP7 Q9UHL4 2/20 0.43
FAP Q12884 1/20 0.43
HCRTR2 O43614 1/20 0.42

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
SCHEMBL665182 0.84 DPP4 (0.66) DPP4DPP7
SCHEMBL4594222 0.84 DPP4 (0.66) DPP4DPP7
SCHEMBL6828026 0.82 DPP4 (0.47) DPP4PREPDPP7FAP
SCHEMBL4594463 0.82 DPP4 (0.47) DPP4PREPDPP7FAP
SCHEMBL4594040 0.81 DPP4 (0.46) DPP4PREPDPP7
SCHEMBL6830039 0.81 DPP4 (0.61) DPP4PREPDPP7FAP
SCHEMBL666645 0.80 DPP4 (0.61) DPP4DPP7
SCHEMBL4594205 0.80 DPP4 (0.61) DPP4DPP7
SCHEMBL4594589 0.78 DPP4 (0.49) DPP4PREPDPP7
SCHEMBL6830438 0.78 DPP4 (0.49) DPP4PREPDPP7

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