SCHEMBL5740063

SCHEMBL5740063

Cc1ccc(-c2c(CC(=O)N3CCCC3)c(C)nc(CC(C)C)c2CN(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.53
DPP9 Q86TI2 2/20 0.51
DPP8 Q6V1X1 2/20 0.44

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
SCHEMBL5455665 0.85 DPP4 (0.59) DPP4DPP9DPP8
SCHEMBL5242208 0.85 DPP4 (0.75) DPP4DPP9DPP8
SCHEMBL5239400 0.84 DPP4 (0.54) DPP4DPP9DPP8
SCHEMBL5801926 0.84 DPP4 (0.42) DPP4DPP9DPP8
SCHEMBL5740441 0.83 DPP4 (0.64) DPP4DPP9DPP8
SCHEMBL5456407 0.83 DPP4 (0.57) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5445509 0.82 DPP4 (0.72) DPP4DPP9DPP8
SCHEMBL4106846 0.82 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5801657 0.82 DPP4 (0.52) DPP4DPP9DPP8
SCHEMBL5456723 0.81 DPP4 (0.51) 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-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