SCHEMBL4594174

SCHEMBL4594174

Cc1sc(-c2ccccc2)nc1CN(CC(=O)N1CCCC1C#N)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 10/20 0.45
DPP4 P27487 6/20 0.44
DPP7 Q9UHL4 2/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42

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
SCHEMBL4594300 0.83 HRH3 (0.45) PREPDPP4DPP7
SCHEMBL6327411 0.83 HRH3 (0.45) PREPDPP4DPP7
SCHEMBL4594527 0.82 HRH3 (0.46) PREPDPP4
SCHEMBL1436727 0.82 HRH3 (0.46) PREPDPP4
SCHEMBL4593328 0.80 PREP (0.47) PREPDPP4
SCHEMBL6828219 0.80 PREP (0.47) PREPDPP4
SCHEMBL665215 0.79 DPP4 (0.66) PREPDPP4DPP7DPP8
SCHEMBL4594687 0.79 DPP4 (0.66) PREPDPP4DPP7DPP8
SCHEMBL4593886 0.78 DPP4 (0.46) PREPDPP4DPP7FAPDPP8
SCHEMBL663002 0.78 DPP4 (0.68) 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