SCHEMBL5740457

SCHEMBL5740457

CCCc1nc(CC(C)C)c(CC(C)(C)C)c(-c2ccc(C)cc2)c1CC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.53
DPP9 Q86TI2 7/20 0.53
DPP8 Q6V1X1 6/20 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
SCHEMBL5447918 0.89 DPP4 (0.62) DPP4DPP9DPP8
SCHEMBL5441429 0.88 DPP4 (0.51) DPP4DPP9DPP8
SCHEMBL5741025 0.86 DPP4 (0.50) DPP4DPP9DPP8
SCHEMBL5452663 0.84 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5740456 0.84 DPP4 (0.45) DPP4DPP9DPP8
SCHEMBL5741240 0.81 DPP4 (0.45) DPP4DPP9DPP8
SCHEMBL5239748 0.80 DPP4 (0.55) DPP4DPP9DPP8
SCHEMBL5740432 0.78 DPP4 (0.64) DPP4DPP9DPP8
SCHEMBL5239119 0.78 DPP4 (0.51) DPP4DPP9DPP8
SCHEMBL5740898 0.78 DPP4 (0.69) DPP4DPP9DPP8

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-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO disclosed