SCHEMBL5739742

SCHEMBL5739742

Cc1ccc(-c2c(CCNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)c(C)nc(CC(C)C)c2C(OC(N)=O)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.42
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 2/20 0.38
GHSR Q92847 1/20 0.35

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
SCHEMBL5740124 0.83 DPP4 (0.44) DPP4DPP8DPP9
SCHEMBL5739246 0.80 DPP4 (0.41) DPP4DPP8DPP9
SCHEMBL5741196 0.78 DPP4 (0.46) DPP4DPP8DPP9
SCHEMBL5741865 0.74 DPP4 (0.39) DPP4DPP8DPP9
SCHEMBL5739171 0.74 DPP4 (0.40) DPP4DPP8DPP9
SCHEMBL5738844 0.72 DPP4 (0.49) DPP4
SCHEMBL5739123 0.72 DPP4 (0.49) DPP4
SCHEMBL5450219 0.71 DPP4 (0.50) DPP4DPP8DPP9GHSR
Hydrochloric Acid SCHEMBL5442479 0.71 DPP4 (0.60) DPP4DPP8DPP9
SCHEMBL5782205 0.70 DPP4 (0.37) DPP4DPP8DPP9

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