SCHEMBL5239116

SCHEMBL5239116

CCc1nc(CC(C)C)c([CH]C(C)(C)C)c(-c2ccc(C)cc2)c1CO

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.42
DPP9 Q86TI2 5/20 0.42
DPP8 Q6V1X1 4/20 0.42
GCGR P47871 3/20 0.41
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38

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
SCHEMBL5239745 0.94 DPP4 (0.47) DPP4DPP9DPP8GCGR
SCHEMBL5741021 0.92 GCGR (0.44) DPP4DPP9DPP8GCGR
SCHEMBL5739263 0.88 DPP4 (0.48) DPP4DPP9DPP8GCGR
SCHEMBL5239119 0.81 DPP4 (0.51) DPP4DPP9DPP8GCGRHEXA
SCHEMBL5242117 0.80 DPP4 (0.42) DPP4DPP9DPP8
SCHEMBL5740456 0.79 DPP4 (0.45) DPP4DPP9DPP8
SCHEMBL5741238 0.78 DPP4 (0.38) DPP4DPP9DPP8GCGR
SCHEMBL5242329 0.76 DPP4 (0.44) DPP4DPP9DPP8
SCHEMBL5739902 0.76 DPP4 (0.45) DPP4DPP9DPP8HEXAHEXB
SCHEMBL5239748 0.76 DPP4 (0.55) DPP4DPP9DPP8GCGR

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