SCHEMBL8668562

SCHEMBL8668562

O=C(NC1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.43
GRIA2 P42262 4/20 0.43
GRIA3 P42263 4/20 0.43
GRIA4 P48058 4/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KCNMA1 Q12791 7/20 0.39

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
SCHEMBL9093233 0.92 KCNMA1 (0.42) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL8671733 0.91 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL8667341 0.88 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8673721 0.85 ALDH1A1 (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL8669892 0.85 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4KCNMA1
SCHEMBL9092722 0.83 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4
SCHEMBL9094360 0.83 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL8668928 0.82 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL8671549 0.82 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL8668931 0.82 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4NPC1

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