SCHEMBL4604399

SCHEMBL4604399

N#CC1CCCN1C(=O)CNCCc1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.67
DPP8 Q6V1X1 6/20 0.57
DPP7 Q9UHL4 3/20 0.57
PREP P48147 3/20 0.54

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
SCHEMBL666252 1.00 DPP4 (0.67) DPP4DPP8DPP7PREP
SCHEMBL665998 0.94 DPP4 (0.68) DPP4DPP8DPP7PREP
SCHEMBL4606289 0.94 DPP4 (0.68) DPP4DPP8DPP7PREP
SCHEMBL4669433 0.84 DPP4 (0.67) DPP4DPP8DPP7PREP
SCHEMBL665953 0.84 DPP4 (0.67) DPP4DPP8DPP7PREP
SCHEMBL1437709 0.83 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL665486 0.83 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL197391 0.77 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL665215 0.77 DPP4 (0.66) DPP4DPP8DPP7PREP
SCHEMBL875490 0.77 DPP4 (0.63) 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