SCHEMBL8667341

SCHEMBL8667341

O=C(NC1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.45
GRIA2 P42262 4/20 0.45
GRIA3 P42263 4/20 0.45
GRIA4 P48058 4/20 0.45
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
RB1 P06400 1/20 0.42
HCAR3 P49019 2/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 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
SCHEMBL9235550 0.92 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4HCAR3
SCHEMBL8671733 0.90 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8668562 0.88 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8668931 0.87 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8668928 0.85 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8673721 0.82 ALDH1A1 (0.46) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8669904 0.82 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL8671333 0.81 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9094360 0.81 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4
SCHEMBL9232492 0.81 MAPT (0.43) GRIA1GRIA2GRIA3GRIA4MAPT

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