SCHEMBL5244281

SCHEMBL5244281

CCc1nc(CC(C)(C)C)c(CN(C(=O)O)C(C)(C)C)c(-c2ccc(C)cc2)c1CC(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.51
DPP9 Q86TI2 9/20 0.51
DPP8 Q6V1X1 6/20 0.43
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 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
SCHEMBL4113573 0.88 DPP4 (0.65) DPP4DPP9DPP8
SCHEMBL4113989 0.88 DPP4 (0.54) DPP4DPP9DPP8
SCHEMBL5242208 0.83 DPP4 (0.75) DPP4DPP9DPP8
SCHEMBL27723357 0.82 DPP4 (0.56) DPP4DPP9DPP8
SCHEMBL5244235 0.75 DPP4 (0.56) DPP4DPP9DPP8
SCHEMBL5243223 0.75 DPP4 (0.81) DPP4DPP9DPP8
SCHEMBL5242910 0.71 DPP4 (0.50) DPP4DPP9DPP8
SCHEMBL4107585 0.69 DPP4 (0.80) DPP4DPP9DPP8
SCHEMBL4117724 0.69 DPP4 (0.51) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5241172 0.69 DPP4 (0.57) 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