SCHEMBL3362219

SCHEMBL3362219

COc1cc(OC)c2c(CN)ncc(NC(=O)N(C)Cc3cccnc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
DPP4 P27487 3/20 0.46
CLK1 P49759 1/20 0.42
NAMPT P43490 1/20 0.42
IDO1 P14902 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 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
SCHEMBL7720962 0.91 DPP4 (0.49) GAAHTTDPP4MAPK1SMN1; SMN2
SCHEMBL3363084 0.87 DPP4 (0.53) GAAHTTDPP4CLK1NAMPT
SCHEMBL3361319 0.86 GAA (0.44) GAAHTTCLK1NAMPTIDO1
SCHEMBL3363205 0.85 DPP4 (0.56) GAAHTTDPP4CLK1IDO1
Hydrochloric Acid SCHEMBL3366027 0.84 DPP4 (0.56) GAAHTTDPP4CLK1IDO1
SCHEMBL3363078 0.83 DPP4 (0.58) DPP4ALDH1A1
SCHEMBL3362425 0.81 DPP4 (0.50) GAAHTTDPP4SMN1; SMN2KDM4E
SCHEMBL3361478 0.80 DPP4 (0.45) GAAHTTDPP4SMN1; SMN2POLB
SCHEMBL3361996 0.80 DPP4 (0.49) GAAHTTDPP4SMN1; SMN2USP2
SCHEMBL3362038 0.77 DPP4 (0.57) HTTDPP4SMN1; SMN2TSHRHPGD

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