SCHEMBL7668356

SCHEMBL7668356

O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C(=O)NCc4ccc([N+](=O)[O-])cc4)c3)cc21

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 12/20 0.75
GRIA2 P42262 12/20 0.75
GRIA3 P42263 12/20 0.75
GRIA4 P48058 12/20 0.75
GRIK1 P39086 11/20 0.74
GRIK2 Q13002 11/20 0.74
GRIK5 Q16478 10/20 0.74
GRIK3 Q13003 10/20 0.74
GRIK4 Q16099 5/20 0.74
SLC22A6 Q4U2R8 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58

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
SCHEMBL7662232 0.91 GRIA1 (0.87) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7668566 0.89 GRIA1 (0.75) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7483220 0.86 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL2053498 0.85 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7664438 0.85 GRIK1 (0.77) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7668821 0.84 GRIA1 (0.79) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7662246 0.84 GRIA1 (0.86) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7663264 0.81 GRIA1 (0.74) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8672098 0.80 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8673956 0.80 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407109-B1 ANTIEPILETIC, ANTIDEPRESSANT, AND ANXIOLYTIC AGENTS; PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES 2002-06-18 US disclosed