SCHEMBL4603598

SCHEMBL4603598

Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1CC(C)(C)NCC(=O)N1CCCC1C#N

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.57
DPP7 Q9UHL4 1/20 0.49
DPP8 Q6V1X1 2/20 0.48
DPP9 Q86TI2 1/20 0.48

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
SCHEMBL665759 1.00 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL665467 0.92 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL4606094 0.92 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL666521 0.91 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL4603245 0.91 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL1436234 0.91 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL664943 0.91 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL665839 0.91 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL4605062 0.91 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL4605706 0.89 DPP4 (0.55) DPP4DPP7DPP8DPP9

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