SCHEMBL9393343

SCHEMBL9393343

O=c1[nH]c2cc(F)c(F)c(F)c2c(=O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 11/20 0.46
DDO Q99489 5/20 0.46
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 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
SCHEMBL9389006 0.81 DAO (0.54) DAODDO
SCHEMBL9393393 0.81 GRIN2D (0.45) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9007845 0.79 DAO (0.51) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL3363859 0.79 DAO (0.57) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9389060 0.76 DAO (0.41) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9387834 0.76 DAO (0.46) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9393007 0.75 GRIN2D (0.49) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9387925 0.75 DAO (0.53) DAODDO
SCHEMBL9387612 0.75 DAO (0.66) DAODDO
SCHEMBL9393175 0.73 DAO (0.49) DAODDO

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
WO-1994007500-A1 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS WEBER ECKARD (US) 1994-04-14 WO disclosed