SCHEMBL7478167

SCHEMBL7478167

O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CCN(CCc5ccccc5)CC4)c3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 11/20 1.00
GRIK2 Q13002 11/20 1.00
GRIK3 Q13003 9/20 1.00
GRIK5 Q16478 9/20 1.00
GRIA1 P42261 9/20 0.70
GRIA2 P42262 9/20 0.70
GRIA3 P42263 9/20 0.70
GRIA4 P48058 9/20 0.70
GRIK4 Q16099 4/20 0.64
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55

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
SCHEMBL8672087 0.94 GRIK1 (1.00) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7480816 0.91 GRIK1 (0.83) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7476602 0.89 GRIK1 (1.00) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL8675863 0.88 GRIK1 (0.84) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7484906 0.88 GRIK1 (1.00) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7479164 0.85 GRIK1 (0.81) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL8672098 0.82 GRIA1 (1.00) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7483211 0.79 GRIK1 (0.70) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7480775 0.79 GRIA1 (0.73) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7483663 0.79 GRIK1 (0.83) GRIK1GRIK2GRIK3GRIK5GRIA1

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
EP-0799224-B1 QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AG (DE) 2002-04-17 EP disclosed
US-5849743-A Quinoxalines and drugs prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed