SCHEMBL6830208

SCHEMBL6830208

C[N+](C)(CCNc1ncc(-c2ccc(C#N)cc2)cn1)CC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.51
DPP8 Q6V1X1 3/20 0.51
DPP7 Q9UHL4 3/20 0.51
PREP P48147 1/20 0.48
DPP9 Q86TI2 2/20 0.44
FAP Q12884 1/20 0.43

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
SCHEMBL4594472 0.91 DPP4 (0.52) DPP4DPP8DPP7PREPDPP9
SCHEMBL6828531 0.90 DPP4 (0.62) DPP4DPP8DPP7PREPDPP9
SCHEMBL6828275 0.83 PREP (0.52) DPP4DPP8DPP7PREPDPP9
SCHEMBL6830146 0.82 DPP4 (0.49) DPP4DPP8DPP7PREPDPP9
SCHEMBL6828453 0.82 DPP4 (0.56) DPP4DPP8DPP7PREPDPP9
SCHEMBL6827950 0.81 DPP4 (0.52) DPP4DPP8DPP7PREPDPP9
SCHEMBL6827820 0.80 DPP4 (0.65) DPP4DPP8DPP7DPP9FAP
SCHEMBL666508 0.80 DPP4 (0.73) DPP4DPP8DPP7PREPDPP9
SCHEMBL4593211 0.79 DPP4 (0.51) DPP4DPP8DPP7PREP
SCHEMBL6828021 0.77 DPP4 (0.50) 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