SCHEMBL1436910

SCHEMBL1436910

CC(Cn1c(-c2ccccc2)cc2ccccc21)NCC(=O)N1CCCC1C#N

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.79
DPP8 Q6V1X1 3/20 0.56
DPP7 Q9UHL4 2/20 0.54
PREP P48147 5/20 0.51

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
SCHEMBL665630 1.00 DPP4 (0.79) DPP4DPP8DPP7PREP
SCHEMBL665629 1.00 DPP4 (0.79) DPP4DPP8DPP7PREP
SCHEMBL664749 0.88 DPP4 (1.00) DPP4DPP8DPP7PREP
SCHEMBL664750 0.88 DPP4 (1.00) DPP4DPP8DPP7PREP
SCHEMBL663957 0.83 DPP4 (0.75) DPP4DPP8DPP7PREP
SCHEMBL663958 0.83 DPP4 (0.75) DPP4DPP8DPP7PREP
SCHEMBL7188500 0.83 DPP4 (0.75) DPP4DPP8DPP7PREP
SCHEMBL1435793 0.81 DPP4 (0.56) DPP4DPP8DPP7PREP
SCHEMBL665384 0.79 DPP4 (0.71) DPP4DPP8DPP7PREP
SCHEMBL666567 0.79 DPP4 (0.69) 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 1 patent. 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