SCHEMBL5740897

SCHEMBL5740897

Cc1ccc(-c2c([CH]C(C)(C)C)c(CC(C)(C)C)nc(C)c2CC(N)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.57
DPP9 Q86TI2 8/20 0.50
DPP8 Q6V1X1 7/20 0.50
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5740745 0.86 DPP4 (0.46) DPP4DPP9DPP8
SCHEMBL5739324 0.85 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5740898 0.85 DPP4 (0.69) DPP4DPP9DPP8ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL5449372 0.82 DPP4 (0.83) DPP4DPP9DPP8
SCHEMBL5442960 0.80 DPP4 (0.66) DPP4DPP9DPP8
SCHEMBL5240229 0.80 DPP4 (0.43) DPP4DPP9DPP8ALDH1A1
SCHEMBL5740456 0.76 DPP4 (0.45) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL27643586 0.74 DPP4 (0.71) DPP4DPP9DPP8
SCHEMBL5750259 0.72 DPP4 (0.38) DPP4DPP9DPP8
SCHEMBL5740748 0.72 DPP4 (0.55) 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