SCHEMBL5750259

SCHEMBL5750259

Cc1ccc(-c2c([CH]C(C)(C)C)c(CC(C)(C)C)nc(C)c2CSc2ncc[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.38
DPP9 Q86TI2 7/20 0.36
DPP8 Q6V1X1 5/20 0.36
NISCH Q9Y2I1 1/20 0.32

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
SCHEMBL5750264 0.87 DPP4 (0.45) DPP4DPP9DPP8NISCH
Hydrochloric Acid SCHEMBL5457141 0.83 DPP4 (0.57) DPP4DPP9DPP8
SCHEMBL5443496 0.80 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5806839 0.78 DPP4 (0.46) DPP4DPP9DPP8
SCHEMBL5739324 0.77 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5753497 0.76 CYP2E1 (0.45)
SCHEMBL5240229 0.74 DPP4 (0.43) DPP4DPP9DPP8
SCHEMBL5740897 0.72 DPP4 (0.57) DPP4DPP9DPP8
SCHEMBL5740745 0.67 DPP4 (0.46) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5442737 0.67 DPP4 (0.61) 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