SCHEMBL3363099

SCHEMBL3363099

COc1cc(OC)c2c(CNC(=O)OC(C)(C)C)ncc(C(=O)O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.49
ABCB1 P08183 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK1A Q13627 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSL P07711 1/20 0.34
PTPN1 P18031 1/20 0.34
APLNR P35414 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL3362101 0.88 DPP4 (0.67) DPP4GAASMN1; SMN2ALDH1A1NPSR1
SCHEMBL3361298 0.87 DPP4 (0.46) DPP4ABCB1HSD17B10CYP1A2SMN1; SMN2
SCHEMBL3362437 0.86 DPP4 (0.45) DPP4ABCB1GFERHSD17B10L3MBTL1
SCHEMBL3361307 0.86 DPP4 (0.46) DPP4ABCB1GFERHSD17B10L3MBTL1
SCHEMBL3365202 0.86 DPP4 (0.44) DPP4HSD17B10L3MBTL1CYP1A2ALDH1A1
SCHEMBL3365615 0.84 DPP4 (0.41) DPP4L3MBTL1DYRK1AGAAALDH1A1
SCHEMBL3365213 0.84 DPP4 (0.47) DPP4CTSL
SCHEMBL3363088 0.83 DPP4 (0.41) DPP4ABCB1GFERHSD17B10L3MBTL1
SCHEMBL3359830 0.83 NAMPT (0.44) DPP4GFERHSD17B10L3MBTL1GAA
SCHEMBL3362011 0.82 DPP4 (0.40) DPP4ABCB1GFERHSD17B10L3MBTL1

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
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed