SCHEMBL4594039

SCHEMBL4594039

N#CC1CCCN1C(=O)CNCCNc1ccc(-c2ccccc2)cn1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.74
DPP7 Q9UHL4 4/20 0.74
DPP8 Q6V1X1 4/20 0.74

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
SCHEMBL666219 1.00 DPP4 (0.74) DPP4DPP7DPP8
SCHEMBL4593663 0.91 DPP4 (0.85) DPP4DPP7DPP8
SCHEMBL665644 0.91 DPP4 (0.85) DPP4DPP7DPP8
SCHEMBL665455 0.89 DPP4 (0.75) DPP4DPP7DPP8
SCHEMBL1436023 0.89 DPP4 (0.75) DPP4DPP7DPP8
SCHEMBL663681 0.89 DPP4 (0.69) DPP4DPP7DPP8
SCHEMBL5658833 0.89 DPP4 (0.69) DPP4DPP7DPP8
SCHEMBL4594545 0.87 DPP4 (0.67) DPP4DPP7DPP8
SCHEMBL663965 0.87 DPP4 (0.67) DPP4DPP7DPP8
SCHEMBL4594027 0.87 DPP4 (0.64) 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