SCHEMBL5239762

SCHEMBL5239762

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

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.67
DPP9 Q86TI2 9/20 0.67
DPP8 Q6V1X1 8/20 0.67

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 SCHEMBL5242996 0.99 DPP4 (0.69) DPP4DPP9DPP8
SCHEMBL27702867 0.91 DPP4 (0.55) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5754258 0.88 DPP4 (0.67) DPP4DPP9DPP8
SCHEMBL5239109 0.85 DPP4 (0.58) DPP4DPP9DPP8
SCHEMBL5240240 0.84 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5457254 0.81 DPP4 (0.98) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL27664869 0.80 DPP4 (0.57) DPP4DPP9DPP8
SCHEMBL4118400 0.80 DPP4 (0.77) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5451624 0.80 DPP4 (1.00) DPP4DPP9DPP8
SCHEMBL4112626 0.80 DPP4 (1.00) 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-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