SCHEMBL3360966

SCHEMBL3360966

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
ABCB1 P08183 1/20 0.34
DYRK1A Q13627 2/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.32
MAPKAPK2 P49137 5/20 0.32
CTSL P07711 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDPK1 O15530 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL3361995 0.85 DPP4 (0.39) DPP4DYRK1ACYP2D6
SCHEMBL3362437 0.83 DPP4 (0.45) DPP4ABCB1DYRK1AGFERHSD17B10
SCHEMBL3363099 0.81 DPP4 (0.49) DPP4ABCB1DYRK1AGFERHSD17B10
SCHEMBL3360962 0.80 DPP4 (0.41) DPP4ABCB1DYRK1AGFERHSD17B10
SCHEMBL3362011 0.79 DPP4 (0.40) DPP4ABCB1DYRK1AGFERHSD17B10
SCHEMBL3362101 0.77 DPP4 (0.67) DPP4ALDH1A1NPSR1
SCHEMBL3361307 0.77 DPP4 (0.46) DPP4ABCB1DYRK1AGFERHSD17B10
SCHEMBL3361298 0.77 DPP4 (0.46) DPP4ABCB1HSD17B10ALDH1A1
SCHEMBL3365202 0.75 DPP4 (0.44) DPP4HSD17B10L3MBTL1ALDH1A1TSHR
SCHEMBL3365615 0.74 DPP4 (0.41) DPP4DYRK1AL3MBTL1CTSLALDH1A1

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