SCHEMBL4594094

SCHEMBL4594094

N#CC1CCCN1C(=O)CNCCNc1nc(-c2cccnc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.58
DPP7 Q9UHL4 4/20 0.54
DPP8 Q6V1X1 3/20 0.54
PREP P48147 3/20 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
SCHEMBL663696 1.00 DPP4 (0.58) DPP4DPP7DPP8PREP
SCHEMBL663069 0.92 DPP4 (0.61) DPP4DPP7DPP8PREP
SCHEMBL4594774 0.92 DPP4 (0.61) DPP4DPP7DPP8PREP
SCHEMBL665934 0.91 DPP4 (0.66) DPP4DPP7DPP8PREP
SCHEMBL4594210 0.91 DPP4 (0.66) DPP4DPP7DPP8PREP
SCHEMBL665562 0.86 DPP4 (0.63) DPP4DPP7DPP8PREP
SCHEMBL4636329 0.86 DPP4 (0.59) DPP4DPP7DPP8
SCHEMBL4638619 0.86 DPP4 (0.63) DPP4DPP7DPP8PREP
SCHEMBL665131 0.86 DPP4 (0.59) DPP4DPP7DPP8
SCHEMBL4594852 0.85 DPP4 (0.69) 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