SCHEMBL5738564

SCHEMBL5738564

Cc1ccc(-c2c([CH]C(C)(C)C)c(CC(C)C)nc(C)c2C(=O)NCCC(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.46
DPP8 Q6V1X1 3/20 0.46
DPP9 Q86TI2 2/20 0.46

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
SCHEMBL5740430 0.85 DPP4 (0.54) DPP4DPP8DPP9
SCHEMBL5738567 0.84 DPP4 (0.54) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5447687 0.82 DPP4 (0.69) DPP4DPP8DPP9
SCHEMBL5458556 0.80 DPP4 (0.52) DPP4DPP8DPP9
SCHEMBL5739895 0.76 DPP4 (0.44) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL27644477 0.76 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL5739902 0.75 DPP4 (0.45) DPP4DPP8DPP9
SCHEMBL5740996 0.74 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL5739263 0.73 DPP4 (0.48) DPP4DPP8DPP9
SCHEMBL4706463 0.73 DPP4 (0.70) DPP4

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