SCHEMBL3363369

SCHEMBL3363369

COc1cc2c(NC(=O)OCc3ccccc3)cnc(CNC(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
SYK P43405 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TACR3 P29371 1/20 0.42
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
NTSR1 P30989 1/20 0.41
MAPKAPK2 P49137 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
TLR9 Q9NR96 2/20 0.40
KDM4E B2RXH2 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 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
SCHEMBL3361886 0.85 DPP4 (0.41) DPP4KMT2AMEN1MAPTTLR9
SCHEMBL3361992 0.81 DPP4 (0.50) DPP4MAPKAPK2
SCHEMBL3361175 0.77 HPGD (0.44) DPP4KMT2AMEN1MAPT
SCHEMBL3365213 0.77 DPP4 (0.47) DPP4
SCHEMBL3361800 0.76 CTSL (0.43) DPP4KMT2AMEN1MAPTNPC1
SCHEMBL3363973 0.76 DPP4 (0.43) DPP4MAPKAPK2
SCHEMBL3361170 0.76 RAB9A (0.44) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL3361880 0.75 DPP4 (0.47) DPP4
SCHEMBL3360434 0.74 DPP4 (0.41) DPP4KMT2AMEN1
SCHEMBL3361923 0.73 DPP4 (0.64) DPP4MAPT

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