SCHEMBL4594042

SCHEMBL4594042

C[N+](C)(CCNc1nc(-c2cccnc2)no1)CC(=O)N1CCCC1C#N

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PREP P48147 12/20 0.42
DPP7 Q9UHL4 2/20 0.41
DPP4 P27487 5/20 0.41
HCRTR2 O43614 1/20 0.39

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
SCHEMBL6830053 1.00 PREP (0.42) PREPDPP7DPP4HCRTR2
SCHEMBL6828165 0.91 PREP (0.47) PREPDPP7DPP4
SCHEMBL4594327 0.91 PREP (0.47) PREPDPP7DPP4
SCHEMBL4594040 0.91 DPP4 (0.46) PREPDPP7DPP4
SCHEMBL4594589 0.85 DPP4 (0.49) PREPDPP7DPP4
SCHEMBL6830438 0.85 DPP4 (0.49) PREPDPP7DPP4
SCHEMBL4594068 0.83 DPP4 (0.48) PREPDPP7DPP4
SCHEMBL4593211 0.82 DPP4 (0.51) PREPDPP7DPP4
SCHEMBL667040 0.82 DPP4 (0.55) DPP7DPP4
SCHEMBL6828026 0.78 DPP4 (0.47) PREPDPP7DPP4

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