SCHEMBL4593439

SCHEMBL4593439

N#CC1CCCN1C(=O)CNCCNc1nc(C(=O)c2ccccc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.64
DPP8 Q6V1X1 8/20 0.56
DPP7 Q9UHL4 5/20 0.56
PREP P48147 1/20 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
SCHEMBL666660 1.00 DPP4 (0.64) DPP4DPP8DPP7PREP
SCHEMBL1436276 0.96 DPP4 (0.59) DPP4DPP8DPP7PREP
SCHEMBL665934 0.86 DPP4 (0.66) DPP4DPP8DPP7PREP
SCHEMBL4594210 0.86 DPP4 (0.66) DPP4DPP8DPP7PREP
SCHEMBL4594852 0.83 DPP4 (0.69) DPP4DPP8DPP7
SCHEMBL664981 0.83 DPP4 (0.69) DPP4DPP8DPP7
SCHEMBL4594774 0.81 DPP4 (0.61) DPP4DPP8DPP7PREP
SCHEMBL663069 0.81 DPP4 (0.61) DPP4DPP8DPP7PREP
SCHEMBL4639711 0.81 DPP4 (0.57) DPP4DPP8DPP7
SCHEMBL665996 0.81 DPP4 (0.57) 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