SCHEMBL4594068

SCHEMBL4594068

C[N+](C)(CCNc1cccc(-c2cccnc2)n1)CC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.48
PREP P48147 9/20 0.45
DPP7 Q9UHL4 4/20 0.45
DPP8 Q6V1X1 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
SCHEMBL4594377 0.88 DPP4 (0.46) DPP4PREPDPP7DPP8
SCHEMBL6830146 0.88 DPP4 (0.49) DPP4PREPDPP7DPP8
SCHEMBL4593211 0.88 DPP4 (0.51) DPP4PREPDPP7DPP8
SCHEMBL6828063 0.87 PREP (0.52) DPP4PREPDPP7DPP8
SCHEMBL6827923 0.86 PREP (0.51) DPP4PREPDPP7DPP8
SCHEMBL6827924 0.85 DPP4 (0.49) DPP4PREPDPP7DPP8
SCHEMBL6830053 0.83 PREP (0.42) DPP4PREPDPP7
SCHEMBL4594042 0.83 PREP (0.42) DPP4PREPDPP7
SCHEMBL6824904 0.82 DPP4 (0.47) DPP4PREPDPP7DPP8
SCHEMBL663076 0.81 DPP4 (0.61) 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