SCHEMBL5739263

SCHEMBL5739263

Cc1ccc(-c2c([CH]C(C)(C)C)c(CC(C)C)nc(C)c2CO)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.48
DPP8 Q6V1X1 3/20 0.46
DPP9 Q86TI2 2/20 0.45
GCGR P47871 1/20 0.39

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
SCHEMBL5239745 0.92 DPP4 (0.47) DPP4DPP8DPP9GCGR
SCHEMBL5239116 0.88 DPP4 (0.42) DPP4DPP8DPP9GCGR
SCHEMBL5741021 0.87 GCGR (0.44) DPP4DPP8DPP9GCGR
SCHEMBL5739324 0.85 DPP4 (0.48) DPP4DPP8DPP9GCGR
SCHEMBL5242329 0.85 DPP4 (0.44) DPP4DPP8DPP9
SCHEMBL5739902 0.83 DPP4 (0.45) DPP4DPP8DPP9
SCHEMBL5740996 0.82 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL5739264 0.81 DPP4 (0.54) DPP4DPP8DPP9GCGR
SCHEMBL5740430 0.81 DPP4 (0.54) DPP4DPP8DPP9
SCHEMBL5738343 0.80 KDM4E (0.42) 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