SCHEMBL1436592

SCHEMBL1436592

CC(C)(Cc1csc(-c2ccccc2)n1)NCC(=O)N1CCCC1C#N

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.71
▸ DPP7 Q9UHL4 3/20 0.61
▸ DPP8 Q6V1X1 3/20 0.54
▸ DPP9 Q86TI2 3/20 0.54

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
SCHEMBL666246 1.00 DPP4 (0.71) DPP4DPP7DPP8DPP9
SCHEMBL663002 0.84 DPP4 (0.68) DPP4DPP7DPP8DPP9
SCHEMBL7204376 0.83 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL7204365 0.83 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL4672451 0.83 DPP4 (0.67) DPP4DPP7DPP8DPP9
SCHEMBL665953 0.83 DPP4 (0.67) DPP4DPP7DPP8DPP9
SCHEMBL4669433 0.83 DPP4 (0.67) DPP4DPP7DPP8DPP9
SCHEMBL663008 0.83 DPP4 (0.67) DPP4DPP7DPP8DPP9
SCHEMBL666251 0.83 DPP4 (0.67) DPP4DPP7DPP8DPP9
SCHEMBL666634 0.83 DPP4 (0.58) DPP4DPP7DPP8DPP9

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 3 patents. 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
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
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