SCHEMBL8476595

SCHEMBL8476595

CN(C)CCCC(=O)N1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 6/20 0.60
GRIA2 P42262 6/20 0.60
GRIA3 P42263 6/20 0.60
GRIA4 P48058 6/20 0.60
SIGMAR1 Q99720 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37

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
SCHEMBL8478909 0.88 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8476223 0.83 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8477906 0.81 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7980231 0.80 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7970099 0.78 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7983843 0.76 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4
SCHEMBL29798454 0.76 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4
SCHEMBL678318 0.76 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7984623 0.75 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6784577 0.75 GRIA1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968928-A Excitatory amino acid antagonists: fused-azacyclic quinoxalinediones and immunoassays thereof WARNER-LAMBERT COMPANY (US) 1999-10-19 US claimed
US-5968928-A Excitatory amino acid antagonists: fused-azacyclic quinoxalinediones and immunoassays thereof WARNER-LAMBERT COMPANY (US) 1999-10-19 US disclosed