SCHEMBL8324676

SCHEMBL8324676

CCOc1ccc2nc(CC)c(C(=O)O)c(Nc3ccc(Oc4ccccn4)cc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 15/20 0.41
PDE10A Q9Y233 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC2A1 P11166 1/20 0.39
SCN7A Q01118 2/20 0.38
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37

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
SCHEMBL8328970 0.86 PDE4B (0.40) P2RX3KDM4EPOLBMAPTOPRM1
SCHEMBL8327738 0.84 MAPT (0.41) P2RX3PDE10AKDM4EPOLBMAPT
SCHEMBL8330060 0.83 MAPT (0.39) P2RX3KDM4EPOLBMAPTOPRM1
SCHEMBL8328444 0.82 MAPT (0.42) KDM4EPOLBMAPTOPRM1OPRD1
SCHEMBL8324460 0.81 HRH3 (0.41) KDM4EPOLBMAPTOPRM1OPRD1
SCHEMBL8331716 0.80 MAPT (0.37) KDM4EPOLBMAPTOPRM1OPRD1
SCHEMBL8329541 0.79 HDAC1 (0.43) P2RX3POLBMAPTRAD52KMT2A
SCHEMBL8324672 0.79 MAPT (0.52) MAPTL3MBTL1
SCHEMBL8327174 0.78 P2RX3 (0.43) P2RX3
SCHEMBL8328465 0.78 PTGS2 (0.40) P2RX3PDE10AKDM4EPOLBMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP claimed