SCHEMBL9233148

SCHEMBL9233148

CCc1c(Br)cc2[nH]c(=O)c(=O)[nH]c2c1CCNCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.60
GRIA2 P42262 3/20 0.60
GRIA3 P42263 3/20 0.60
GRIA4 P48058 3/20 0.60
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN3A Q8TCU5 4/20 0.36

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
SCHEMBL9226808 0.84 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4GRIN2D
Ammonia Solution, Strong SCHEMBL7591982 0.81 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL9232610 0.79 GRIN2D (0.42) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL9233161 0.76 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7564476 0.75 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8638991 0.71 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8086902 0.67 GRIN1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8090253 0.67
Bromide SCHEMBL8085949 0.65 GRIN1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9226819 0.64 GRIA1 (0.59) GRIA1GRIA2GRIA3GRIA4

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-1996040649-A1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-12-19 WO disclosed