SCHEMBL6828063

SCHEMBL6828063

COc1ccc(-c2cccc(NCC[N+](C)(C)CC(=O)N3CCC[C@H]3C#N)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.52
DPP4 P27487 13/20 0.46
DPP8 Q6V1X1 4/20 0.44
DPP7 Q9UHL4 4/20 0.44
DPP9 Q86TI2 3/20 0.44
FAP Q12884 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
SCHEMBL6827923 0.93 PREP (0.51) PREPDPP4DPP8DPP7DPP9
SCHEMBL6830146 0.91 DPP4 (0.49) PREPDPP4DPP8DPP7DPP9
SCHEMBL6824904 0.87 DPP4 (0.47) PREPDPP4DPP8DPP7
SCHEMBL4594068 0.87 DPP4 (0.48) PREPDPP4DPP8DPP7
SCHEMBL686817 0.87 DPP4 (0.63) PREPDPP4DPP8DPP7
SCHEMBL4593635 0.87 DPP4 (0.63) PREPDPP4DPP8DPP7
SCHEMBL4594377 0.86 DPP4 (0.46) PREPDPP4DPP8DPP7DPP9
SCHEMBL6827950 0.85 DPP4 (0.52) PREPDPP4DPP8DPP7DPP9
SCHEMBL6827924 0.85 DPP4 (0.49) PREPDPP4DPP8DPP7DPP9
SCHEMBL6828187 0.83 PREP (0.51) PREPDPP4DPP8DPP7DPP9

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