SCHEMBL5243223

SCHEMBL5243223

Cc1ccc(-c2c(CC(=O)N3CCC[C@H]3C(N)=O)c(C)nc(CC(C)C)c2CC(C)(C)C)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.81
DPP9 Q86TI2 3/20 0.81
DPP8 Q6V1X1 3/20 0.43

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 SCHEMBL4106829 0.90 DPP4 (1.00) DPP4DPP9DPP8
SCHEMBL4107585 0.89 DPP4 (0.80) DPP4DPP9DPP8
SCHEMBL5242208 0.87 DPP4 (0.75) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5447159 0.81 DPP4 (1.00) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5447160 0.81 DPP4 (1.00) DPP4DPP9DPP8
SCHEMBL4113573 0.79 DPP4 (0.65) DPP4DPP9DPP8
SCHEMBL5445079 0.78 DPP4 (0.74) DPP4DPP9
SCHEMBL5445082 0.78 DPP4 (0.74) DPP4DPP9
SCHEMBL4113989 0.77 DPP4 (0.54) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL28761363 0.75 DPP4 (0.89) DPP4DPP9

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