SCHEMBL3363084

SCHEMBL3363084

COc1cc2c(NC(=O)N(C)Cc3cccnc3)cnc(CN)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.53
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NAMPT P43490 1/20 0.45
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RECQL P46063 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CLK1 P49759 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3362038 0.90 DPP4 (0.57) DPP4HTT
SCHEMBL3362219 0.87 GAA (0.49) DPP4GAAHTTNAMPTMAPK1
SCHEMBL3363215 0.82 DPP4 (0.56) DPP4ALDH1A1RECQLTLR9TLR8
Hydrochloric Acid SCHEMBL3361965 0.81 DPP4 (0.57) DPP4ALDH1A1RECQLTLR9TLR8
SCHEMBL3363173 0.80 DPP4 (0.61) DPP4
SCHEMBL3362033 0.79 DPP4 (0.58) DPP4GAAHTTNPSR1
SCHEMBL8358590 0.79 ABCC1 (0.45) DPP4GAAHTTALDH1A1
SCHEMBL3361700 0.78 DPP4 (0.57) DPP4GAAHTTPOLB
SCHEMBL3361425 0.77 DPP4 (0.53) DPP4GAAHTT
SCHEMBL7720962 0.77 DPP4 (0.49) DPP4GAAHTTMAPK1

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