SCHEMBL7188500

SCHEMBL7188500

CC(Cn1c2ccccc2c2ccccc21)NCC(=O)N1CCCC1C#N

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.75
DPP8 Q6V1X1 3/20 0.60
DPP7 Q9UHL4 1/20 0.60
PREP P48147 5/20 0.53
FAP Q12884 1/20 0.53

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
SCHEMBL663958 1.00 DPP4 (0.75) DPP4DPP8DPP7PREPFAP
SCHEMBL663957 1.00 DPP4 (0.75) DPP4DPP8DPP7PREPFAP
SCHEMBL665384 0.91 DPP4 (0.71) DPP4DPP8DPP7PREPFAP
SCHEMBL665383 0.91 DPP4 (0.71) DPP4DPP8DPP7PREPFAP
SCHEMBL666983 0.85 DPP4 (0.66) DPP4DPP8DPP7PREPFAP
SCHEMBL664750 0.85 DPP4 (1.00) DPP4DPP8DPP7PREPFAP
SCHEMBL1437026 0.85 DPP4 (0.66) DPP4DPP8DPP7PREPFAP
SCHEMBL664749 0.85 DPP4 (1.00) DPP4DPP8DPP7PREPFAP
SCHEMBL666982 0.85 DPP4 (0.66) DPP4DPP8DPP7PREPFAP
SCHEMBL1436910 0.83 DPP4 (0.79) 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