SCHEMBL5239109

SCHEMBL5239109

CCc1nc(CC(C)C)c(CN)c(-c2ccc(C)cc2)c1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.58
DPP8 Q6V1X1 3/20 0.58
DPP9 Q86TI2 2/20 0.57

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
SCHEMBL5243544 0.94 DPP4 (0.61) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5242914 0.93 DPP4 (0.62) DPP4DPP8DPP9
SCHEMBL27723349 0.91 DPP4 (0.47) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5738691 0.88 DPP4 (0.67) DPP4DPP8DPP9
SCHEMBL27723348 0.85 DPP4 (0.50) DPP4DPP8DPP9
SCHEMBL5239762 0.85 DPP4 (0.67) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5242996 0.84 DPP4 (0.69) DPP4DPP8DPP9
SCHEMBL4118953 0.80 DPP4 (0.64) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL27643578 0.80 DPP4 (0.57) DPP4DPP8DPP9
SCHEMBL4112955 0.80 DPP4 (0.78) 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 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 claimed
WO-2006090915-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-31 WO claimed
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