SCHEMBL5739714

SCHEMBL5739714

Cc1ccc(-c2c(CS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)c(C)nc(CC(C)C)c2CC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.47
DPP8 Q6V1X1 4/20 0.43
DPP9 Q86TI2 3/20 0.43
GHSR Q92847 1/20 0.39

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
Hydrochloric Acid SCHEMBL5441446 0.87 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL5453042 0.85 DPP4 (0.51) DPP4DPP8DPP9GHSR
SCHEMBL5802632 0.84 DPP4 (0.46) DPP4DPP8DPP9
SCHEMBL5739264 0.78 DPP4 (0.54) DPP4DPP8DPP9
SCHEMBL5801017 0.77 DPP4 (0.67) DPP4DPP8DPP9
SCHEMBL5741001 0.76 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL5242009 0.76 DPP4 (0.81) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5448888 0.76 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL5242334 0.76 DPP4 (0.48) DPP4DPP8DPP9
SCHEMBL5739906 0.75 DPP4 (0.51) DPP4DPP8DPP9

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