SCHEMBL5738347

SCHEMBL5738347

Cc1ccc(-c2c(C#N)c(C)nc(CC(C)C)c2CC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.47
DPP8 Q6V1X1 5/20 0.46
DPP9 Q86TI2 4/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5242334 0.85 DPP4 (0.48) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5444815 0.84 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL5242122 0.82 DPP4 (0.49) DPP4DPP8DPP9KDM4EALDH1A1
SCHEMBL5453291 0.82 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL5739906 0.81 DPP4 (0.51) DPP4DPP8DPP9
SCHEMBL5739264 0.81 DPP4 (0.54) DPP4DPP8DPP9
SCHEMBL5738343 0.80 KDM4E (0.42) DPP4DPP8DPP9KDM4EALDH1A1
SCHEMBL5739847 0.80 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL5741001 0.79 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL5239748 0.78 DPP4 (0.55) 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