SCHEMBL6828660

SCHEMBL6828660

CCc1cc(-c2nc(CCNCC(=O)N3CCCC3C#N)c(C)s2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.50
PDE10A Q9Y233 1/20 0.49
DPP8 Q6V1X1 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
PREP P48147 1/20 0.44

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
SCHEMBL664946 1.00 DPP4 (0.50) DPP4PDE10ADPP8DPP7PREP
SCHEMBL5661804 0.86 DPP4 (0.55) DPP4DPP8DPP7PREP
SCHEMBL666205 0.86 DPP4 (0.55) DPP4DPP8DPP7PREP
SCHEMBL665215 0.86 DPP4 (0.66) DPP4DPP8DPP7PREP
SCHEMBL4594687 0.86 DPP4 (0.66) DPP4DPP8DPP7PREP
SCHEMBL665351 0.85 DPP4 (0.52) DPP4DPP8DPP7
SCHEMBL1436377 0.85 DPP4 (0.52) DPP4DPP8DPP7
SCHEMBL4592971 0.79 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL664047 0.79 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL665641 0.74 DPP4 (0.56) DPP4DPP8DPP7PREP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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