SCHEMBL5740426

SCHEMBL5740426

COS(=O)(=O)Cc1c(C)nc(CC(C)(C)C)c(CNC(=O)OC(C)(C)C)c1-c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.47
DPP9 Q86TI2 8/20 0.43
DPP8 Q6V1X1 6/20 0.43
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4A O75164 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
SCHEMBL5454715 0.85 DPP4 (0.47) DPP4DPP9DPP8KDM4A
SCHEMBL4113112 0.85 DPP4 (0.66) DPP4DPP9DPP8KMT2A
SCHEMBL5451905 0.83 DPP4 (0.48) DPP4DPP9DPP8KDM4A
SCHEMBL5453608 0.83 DPP4 (0.53) DPP4DPP9DPP8KMT2A
SCHEMBL5456061 0.82 DPP4 (0.66) DPP4DPP9DPP8KDM4A
SCHEMBL5739455 0.81 DPP4 (0.46) DPP4DPP9DPP8KDM4A
SCHEMBL5241529 0.81 DPP4 (0.46) DPP4DPP9DPP8KDM4A
SCHEMBL5240277 0.80 DPP4 (0.43) DPP4DPP9DPP8
SCHEMBL5447087 0.79 DPP4 (0.43) DPP4DPP9DPP8KMT2A
SCHEMBL5739223 0.79 DPP4 (0.44) DPP4DPP9DPP8MEN1KMT2A

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-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO disclosed