SCHEMBL4594413

SCHEMBL4594413

Cc1cc(-c2ccccc2)nn1CCCNCC(=O)N1CCCC1C#N

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.60
DPP8 Q6V1X1 7/20 0.54
DPP7 Q9UHL4 4/20 0.54
PREP P48147 1/20 0.54
DPP9 Q86TI2 1/20 0.51

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
SCHEMBL662825 1.00 DPP4 (0.60) DPP4DPP8DPP7PREPDPP9
SCHEMBL4603154 0.84 DPP4 (0.61) DPP4DPP8DPP7PREPDPP9
SCHEMBL663644 0.84 DPP4 (0.61) DPP4DPP8DPP7PREPDPP9
SCHEMBL664189 0.82 DPP4 (0.63) DPP4DPP8DPP7PREPDPP9
SCHEMBL664190 0.82 DPP4 (0.63) DPP4DPP8DPP7PREPDPP9
SCHEMBL665519 0.78 DPP4 (0.55) DPP4DPP8DPP7PREPDPP9
SCHEMBL4604585 0.78 DPP4 (0.55) DPP4DPP8DPP7PREPDPP9
SCHEMBL4603612 0.77 DPP4 (0.55) DPP4DPP8DPP7DPP9
SCHEMBL666762 0.77 DPP4 (0.55) DPP4DPP8DPP7DPP9
SCHEMBL666255 0.76 DPP4 (0.72) DPP4DPP8DPP7

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