SCHEMBL7716544

SCHEMBL7716544

COCCNC(=O)c1cnc(CN)c2c(OC)cc(OC)cc12

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.65
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.41
AURKA O14965 1/20 0.39
MET P08581 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
NR3C1 P04150 1/20 0.39
TP53 P04637 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
SCHEMBL3362414 0.84 DPP4 (0.61) DPP4KDM4ELMNAHSD17B10
Hydrochloric Acid SCHEMBL3361903 0.83 DPP4 (0.62) DPP4KDM4ELMNAHSD17B10
SCHEMBL3361298 0.83 DPP4 (0.46) DPP4KDM4ELMNAHSD17B10MAPK1
SCHEMBL3361560 0.83 DPP4 (0.74) DPP4LMNA
SCHEMBL21712161 0.76 EGLN1 (0.45) DPP4KDM4ELMNAHSD17B10MAPK1
SCHEMBL3363200 0.75 DPP4 (0.55) DPP4MAPK1
Hydrochloric Acid SCHEMBL3366022 0.74 DPP4 (0.55) DPP4MAPK1
SCHEMBL7716787 0.74 DPP4 (1.00) DPP4
SCHEMBL3363078 0.73 DPP4 (0.58) DPP4
SCHEMBL3363962 0.73 DPP4 (0.60) DPP4KDM4ELMNA

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