SCHEMBL5740745

SCHEMBL5740745

Cc1ccc(-c2c([CH]C(C)(C)C)c(CC(C)(C)C)nc(C)c2COc2ccc(CC(N)=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.46
DPP9 Q86TI2 8/20 0.43
DPP8 Q6V1X1 6/20 0.43
PARP10 Q53GL7 1/20 0.37
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 1/20 0.36

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
SCHEMBL5740748 0.88 DPP4 (0.55) DPP4DPP9DPP8PARP10ALOX5
SCHEMBL5740897 0.86 DPP4 (0.57) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5448610 0.85 DPP4 (0.66) DPP4DPP9DPP8
SCHEMBL5449916 0.84 DPP4 (0.53) DPP4DPP9DPP8PARP10ALOX5
Hydrochloric Acid SCHEMBL5456188 0.79 DPP4 (0.73) DPP4DPP9DPP8
SCHEMBL5739324 0.77 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5455449 0.73 DPP4 (0.52) DPP4DPP9DPP8ALOX5ALOX5AP
Hydrochloric Acid SCHEMBL5739980 0.73 DPP4 (0.64) DPP4DPP9DPP8
SCHEMBL5740898 0.72 DPP4 (0.69) DPP4DPP9DPP8
SCHEMBL5240229 0.72 DPP4 (0.43) 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