SCHEMBL1437709

SCHEMBL1437709

Cc1[nH]c(-c2ccccc2)nc1CCNCC(=O)N1CCCC1C#N

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.63
DPP8 Q6V1X1 8/20 0.55
DPP7 Q9UHL4 4/20 0.55

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
SCHEMBL665486 1.00 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL665641 0.93 DPP4 (0.56) DPP4DPP8DPP7
SCHEMBL663966 0.91 DPP4 (0.62) DPP4DPP8DPP7
SCHEMBL4604380 0.91 DPP4 (0.62) DPP4DPP8DPP7
SCHEMBL665359 0.91 DPP4 (0.54) DPP4DPP8DPP7
SCHEMBL664911 0.88 DPP4 (0.60) DPP4DPP8DPP7
SCHEMBL1437361 0.88 DPP4 (0.60) DPP4DPP8DPP7
SCHEMBL4603607 0.85 DPP4 (0.66) DPP4DPP8DPP7
SCHEMBL666791 0.85 DPP4 (0.66) DPP4DPP8DPP7
SCHEMBL4604399 0.83 DPP4 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
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