SCHEMBL13616979

SCHEMBL13616979

Cc1ccccc1CCn1cccc(Oc2nc3ccccc3o2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.53
LTA4H P09960 6/20 0.37
KCNH2 Q12809 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2736492 0.88 CNR2 (0.51) CNR2LTA4HKCNH2
SCHEMBL2736483 0.71 CNR2 (0.71) CNR2LTA4HKCNH2MAPTALDH1A1
SCHEMBL215736 0.70 CNR2 (0.58) CNR2LTA4HMAPTALDH1A1NPC1
SCHEMBL2736611 0.69 CNR2 (0.43) CNR2LTA4HKCNH2MAPT
SCHEMBL13617003 0.68 MMP2 (0.46) MAPT
SCHEMBL217292 0.67 CNR2 (1.00) CNR2ALDH1A1
SCHEMBL8708937 0.67 CNR2 (0.49) CNR2LTA4HKCNH2MAPTNPC1
SCHEMBL28441097 0.66 NPC1 (0.54) CNR2MAPTALDH1A1NPC1RAB9A
SCHEMBL29818603 0.66 NPC1 (0.54) CNR2MAPTALDH1A1NPC1RAB9A
SCHEMBL9499089 0.65 NPC1 (0.52) CNR2LTA4HKCNH2MAPTTP53

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-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed