SCHEMBL6533243

SCHEMBL6533243

CCC(C)(C)c1nc(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)no1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.52
DPP8 Q6V1X1 2/20 0.52
DPP7 Q9UHL4 2/20 0.52
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.42
USP30 Q70CQ3 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SCN5A Q14524 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SCN4A P35499 1/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 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
SCHEMBL6533019 0.89 DPP4 (0.61) DPP4DPP8DPP7HSD17B10ALDH1A1
SCHEMBL6529052 0.88 DPP4 (0.49) DPP4DPP8DPP7HSD17B10ALDH1A1
SCHEMBL6529051 0.88 DPP4 (0.49) DPP4DPP8DPP7HSD17B10ALDH1A1
SCHEMBL6528322 0.85 ALDH1A1 (0.48) DPP4DPP8DPP7HSD17B10ALDH1A1
SCHEMBL6527845 0.83 DPP4 (0.61) DPP4DPP8DPP7HSD17B10ALDH1A1
SCHEMBL6532079 0.81 HSD17B10 (0.47) DPP4DPP8DPP7HSD17B10ALDH1A1
SCHEMBL6530702 0.81 HSD17B10 (0.46) DPP4DPP8DPP7HSD17B10ALDH1A1
SCHEMBL6530822 0.81 DPP4 (0.51) DPP4DPP8DPP7HSD17B10ALDH1A1
SCHEMBL6532093 0.79 HSD17B10 (0.45) DPP4DPP8DPP7HSD17B10ALDH1A1
SCHEMBL6532912 0.77 DPP4 (0.48) DPP4DPP8DPP7HSD17B10ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037828-A1 NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2005-04-28 WO disclosed