SCHEMBL7723706

SCHEMBL7723706

COc1cc2c(CC(=O)N(C)[C@@H](C)c3ccccc3)cnc(CN)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.58
PDE10A Q9Y233 4/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
CCR5 P51681 1/20 0.38

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
SCHEMBL3361402 1.00 DPP4 (0.58) DPP4PDE10AOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL3364127 0.99 DPP4 (0.59) DPP4PDE10AOPRM1OPRD1OPRK1
SCHEMBL3362959 0.84 DPP4 (0.40) DPP4PDE10AOPRM1OPRD1OPRK1
SCHEMBL3362127 0.82 DPP4 (0.60) DPP4
Hydrochloric Acid SCHEMBL3361829 0.81 DPP4 (0.61) DPP4
SCHEMBL3361000 0.78 DPP4 (0.61) DPP4
SCHEMBL7723652 0.78 DPP4 (0.73) DPP4PDE10A
Hydrochloric Acid SCHEMBL3362995 0.77 DPP4 (0.61) DPP4
SCHEMBL3363381 0.76 DPP4 (0.55) DPP4
Hydrochloric Acid SCHEMBL3369641 0.75 DPP4 (0.56) 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