SCHEMBL4594531

SCHEMBL4594531

N#Cc1cccc(-c2cccc(NCCNCC(=O)N3CCCC3C#N)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.65
DPP7 Q9UHL4 3/20 0.65
DPP8 Q6V1X1 3/20 0.65
PREP P48147 1/20 0.50

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
SCHEMBL665377 1.00 DPP4 (0.65) DPP4DPP7DPP8PREP
SCHEMBL1435778 0.91 DPP4 (0.69) DPP4DPP7DPP8PREP
SCHEMBL665237 0.91 DPP4 (0.69) DPP4DPP7DPP8PREP
SCHEMBL4594376 0.90 DPP4 (0.72) DPP4DPP7DPP8
SCHEMBL666255 0.90 DPP4 (0.72) DPP4DPP7DPP8
SCHEMBL4593424 0.87 DPP4 (0.61) DPP4DPP7DPP8PREP
SCHEMBL667338 0.87 DPP4 (0.61) DPP4DPP7DPP8PREP
SCHEMBL1436023 0.86 DPP4 (0.75) DPP4DPP7DPP8
SCHEMBL665455 0.86 DPP4 (0.75) DPP4DPP7DPP8
SCHEMBL667346 0.86 DPP4 (0.65) DPP4DPP7DPP8

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