SCHEMBL5739899

SCHEMBL5739899

Cc1ccc(-c2c(CC(C)(C)C)c(CC(C)C)nc(C)c2NC(=O)c2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.48
DPP8 Q6V1X1 4/20 0.47
DPP9 Q86TI2 3/20 0.47

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
SCHEMBL5741034 0.91 DPP4 (0.55) DPP4DPP8DPP9
SCHEMBL5458396 0.89 DPP4 (0.51) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5451749 0.89 DPP4 (0.62) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5458180 0.84 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL5739895 0.84 DPP4 (0.44) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5445071 0.83 DPP4 (0.58) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL27664901 0.82 DPP4 (0.55) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL28761356 0.81 DPP4 (0.60) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5445327 0.81 DPP4 (0.66) DPP4DPP8DPP9
SCHEMBL5740432 0.81 DPP4 (0.64) 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