SCHEMBL4594040

SCHEMBL4594040

C[N+](C)(CCNc1nc(-c2ccccc2)no1)CC(=O)N1CCCC1C#N

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.46
PREP P48147 6/20 0.46
DPP7 Q9UHL4 3/20 0.43
DPP8 Q6V1X1 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
SCHEMBL6828165 0.93 PREP (0.47) DPP4PREPDPP7DPP8
SCHEMBL4594327 0.93 PREP (0.47) DPP4PREPDPP7DPP8
SCHEMBL4594042 0.91 PREP (0.42) DPP4PREPDPP7
SCHEMBL6830053 0.91 PREP (0.42) DPP4PREPDPP7
SCHEMBL4594589 0.89 DPP4 (0.49) DPP4PREPDPP7
SCHEMBL6830438 0.89 DPP4 (0.49) DPP4PREPDPP7
SCHEMBL6828026 0.84 DPP4 (0.47) DPP4PREPDPP7DPP8
SCHEMBL4594463 0.84 DPP4 (0.47) DPP4PREPDPP7DPP8
SCHEMBL6828008 0.81 DPP4 (0.45) DPP4PREPDPP7
SCHEMBL4594472 0.81 DPP4 (0.52) DPP4PREPDPP7DPP8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917001-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007017423-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
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