SCHEMBL9389308

SCHEMBL9389308

CCc1cc(CC)c2c(=O)cc(O)c(=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.56
DDO Q99489 3/20 0.49
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43

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
SCHEMBL9393239 0.79 DAO (0.48) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9389830 0.79 DAO (0.68) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9389409 0.76 DAO (0.68) DAODDO
SCHEMBL9389908 0.75 DAO (0.50) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9389400 0.74 DAO (0.49) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9387604 0.73 DAO (0.55) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9389093 0.73 DAO (0.46) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9393070 0.73 DAO (0.63) DAODDO
SCHEMBL9389414 0.73 DAO (0.58) DAODDOGRIN1GRIN2A
SCHEMBL9392688 0.73 DAO (0.41) DAODDOGRIN2DGRIN3BGRIN1

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