SCHEMBL8669892

SCHEMBL8669892

O=C(NCC1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1)c1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.41
GRIA2 P42262 4/20 0.41
GRIA3 P42263 4/20 0.41
GRIA4 P48058 4/20 0.41
KCNMA1 Q12791 6/20 0.40

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
SCHEMBL9235191 0.94 KCNMA1 (0.41) GRIA1GRIA2GRIA3GRIA4KCNMA1
SCHEMBL8668562 0.85 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4KCNMA1
SCHEMBL9093233 0.81 KCNMA1 (0.42) GRIA1GRIA2GRIA3GRIA4KCNMA1
SCHEMBL8671549 0.80 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8670492 0.76 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8673721 0.76 ALDH1A1 (0.46) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8671733 0.76 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4
SCHEMBL9235018 0.76 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4KCNMA1
SCHEMBL9234206 0.76 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8673230 0.75 GRIA1 (0.44) 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
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