SCHEMBL3362003

SCHEMBL3362003

COc1cc(OC)c2c(CN)ncc(C(=O)N(C)CCc3ccccn3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.55
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 3/20 0.44
TLR9 Q9NR96 2/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HIF1A Q16665 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.39
PTGFR P43088 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
Hydrochloric Acid SCHEMBL3365053 0.99 DPP4 (0.55) DPP4TLR8TLR7TLR9KDM4E
SCHEMBL3363213 0.84 TLR8 (0.40) DPP4TLR8TLR7TLR9KDM4E
SCHEMBL3363889 0.82 DPP4 (0.59) DPP4KMT2AMEN1GAA
SCHEMBL3363205 0.79 DPP4 (0.56) DPP4TLR8TLR7TLR9NPC1
Hydrochloric Acid SCHEMBL3366027 0.79 DPP4 (0.56) DPP4TLR8TLR7TLR9NPC1
SCHEMBL3365084 0.77 DPP4 (0.57) DPP4KDM4EALDH1A1
SCHEMBL3361355 0.77 DPP4 (0.55) DPP4KDM4EALDH1A1TDP1KMT2A
Hydrochloric Acid SCHEMBL3366032 0.76 DPP4 (0.58) DPP4KDM4EALDH1A1
SCHEMBL3361560 0.75 DPP4 (0.74) DPP4GAA
SCHEMBL3363381 0.73 DPP4 (0.55) DPP4TLR8TLR7TLR9KDM4E

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