SCHEMBL8669904

SCHEMBL8669904

O=C(NC1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.47
GRIA2 P42262 4/20 0.47
GRIA3 P42263 4/20 0.47
GRIA4 P48058 4/20 0.47
EPHX2 P34913 2/20 0.40
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
Hydrochloric Acid SCHEMBL8671333 0.91 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8668928 0.86 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL9093629 0.85 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4GRIN2D
Hydrochloric Acid SCHEMBL9234349 0.83 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8667341 0.82 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8669247 0.82 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8668931 0.81 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4EPHX2
SCHEMBL8668562 0.80 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8671733 0.80 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8671430 0.79 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO claimed
US-5721234-A TREATING CONVULSIONS, ANXIETY, CEREBRAL HYPOXIA/ISCHEMIA, PARKINSON*S DISEASE WARNER-LAMBERT COMPANY (US) 1998-02-24 US disclosed
WO-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO disclosed