SCHEMBL5739337

SCHEMBL5739337

COc1ccc(-c2c(CNC(=O)OC(C)(C)C)c(CC(C)C)nc(C)c2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.53
DPP8 Q6V1X1 4/20 0.53
DPP9 Q86TI2 3/20 0.52
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5461683 0.93 POLB (0.44) DPP4DPP8DPP9MEN1MAPK1
SCHEMBL5445504 0.92 DPP4 (0.64) DPP4DPP8DPP9
SCHEMBL5456858 0.91 DPP4 (0.55) DPP4DPP8DPP9
SCHEMBL5443078 0.91 DPP4 (0.54) DPP4DPP8DPP9
SCHEMBL5443593 0.90 DPP4 (0.54) DPP4DPP8DPP9
SCHEMBL5445522 0.85 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL5445312 0.85 DPP4 (0.46) DPP4DPP8DPP9GAA
SCHEMBL5240832 0.85 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL5447585 0.83 GCGR (0.46) DPP4DPP8DPP9
SCHEMBL5452801 0.83 DPP4 (0.45) 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