SCHEMBL3360962

SCHEMBL3360962

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.41
MAPKAPK2 P49137 9/20 0.38
ABCB1 P08183 2/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
DYRK1A Q13627 1/20 0.34
KMT2A Q03164 1/20 0.32

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
SCHEMBL3362011 0.88 DPP4 (0.40) DPP4MAPKAPK2ABCB1GFERHSD17B10
SCHEMBL3361992 0.85 DPP4 (0.50) DPP4MAPKAPK2ALDH1A1GAA
SCHEMBL3362437 0.84 DPP4 (0.45) DPP4MAPKAPK2ABCB1GFERHSD17B10
SCHEMBL3363099 0.81 DPP4 (0.49) DPP4ABCB1GFERHSD17B10L3MBTL1
SCHEMBL3360966 0.80 DPP4 (0.41) DPP4MAPKAPK2ABCB1GFERHSD17B10
SCHEMBL7716634 0.80 ABCC1 (0.38) DPP4GAAKMT2A
SCHEMBL3366103 0.79 TSHR (0.40) DPP4GAAKMT2A
SCHEMBL3362364 0.79 ABCB1 (0.40) DPP4ABCB1HSD17B10ALDH1A1GAA
SCHEMBL7723483 0.78 GAA (0.40) DPP4ABCB1ALDH1A1GAADYRK1A
SCHEMBL3362101 0.78 DPP4 (0.67) DPP4ALDH1A1GAAKMT2A

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