SCHEMBL7723652

SCHEMBL7723652

COc1cc2c(CC(=O)O)cnc(CN)c2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.73
PDE10A Q9Y233 3/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL13792321 0.84 DPP4 (1.00) DPP4PDE10A
Hydrochloric Acid SCHEMBL29356163 0.83 DPP4 (1.00) DPP4PDE10A
SCHEMBL4803200 0.81 DPP4 (0.52) DPP4PDE10AHSD17B10
SCHEMBL3360544 0.80 DPP4 (0.61) DPP4PDE10A
SCHEMBL3360594 0.80 DPP4 (0.71) DPP4
SCHEMBL4814360 0.80 DPP4 (0.48) DPP4PDE10AHSD17B10
Hydrochloric Acid SCHEMBL3369616 0.80 DPP4 (0.62) DPP4PDE10A
SCHEMBL3362127 0.79 DPP4 (0.60) DPP4
SCHEMBL8289766 0.79 DPP4 (0.59) DPP4
Hydrochloric Acid SCHEMBL3361829 0.79 DPP4 (0.61) DPP4

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