SCHEMBL9389060

SCHEMBL9389060

Cc1cc2[nH]c(=O)c(O)cc(=O)c2c(F)c1Br

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.41
DDO Q99489 4/20 0.41
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
SCHEMBL9393337 0.86 DAO (0.44) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9392687 0.82 DAO (0.38) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9389967 0.79 DAO (0.41) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9389038 0.77 ERN1 (0.38) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9389093 0.76 DAO (0.46) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9387619 0.76 DAO (0.40) DAODDO
SCHEMBL9393343 0.76 DAO (0.46) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9393175 0.74 DAO (0.49) DAODDO
SCHEMBL7348631 0.73 GRIN2D (0.58) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9389006 0.72 DAO (0.54) 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