SCHEMBL5240229

SCHEMBL5240229

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.43
DPP9 Q86TI2 8/20 0.42
DPP8 Q6V1X1 6/20 0.42
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5242329 0.86 DPP4 (0.44) DPP4DPP9DPP8
SCHEMBL5739324 0.84 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5240233 0.84 DPP4 (0.53) DPP4DPP9DPP8KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5454619 0.80 DPP4 (0.67) DPP4DPP9DPP8
SCHEMBL5740897 0.80 DPP4 (0.57) DPP4DPP9DPP8ALDH1A1
SCHEMBL5242117 0.78 DPP4 (0.42) DPP4DPP9DPP8KDM4EALDH1A1
SCHEMBL5242334 0.77 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL4113165 0.76 DPP4 (0.56) DPP4DPP9DPP8
SCHEMBL5741238 0.75 DPP4 (0.38) DPP4DPP9DPP8KDM4EALDH1A1
SCHEMBL5750259 0.74 DPP4 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851202-A1 PYRIDYL ACETIC ACID COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2007-11-07 EP disclosed
WO-2006090915-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-31 WO disclosed
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