SCHEMBL7480816

SCHEMBL7480816

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

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 11/20 0.83
GRIK2 Q13002 11/20 0.83
GRIK3 Q13003 9/20 0.83
GRIK5 Q16478 9/20 0.83
GRIA1 P42261 10/20 0.67
GRIA2 P42262 10/20 0.67
GRIA3 P42263 10/20 0.67
GRIA4 P48058 10/20 0.67
GRIK4 Q16099 4/20 0.56

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
SCHEMBL7479164 0.95 GRIK1 (0.81) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7478167 0.91 GRIK1 (1.00) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7480410 0.89 GRIK1 (0.80) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7483211 0.89 GRIK1 (0.70) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7483663 0.89 GRIK1 (0.83) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL8672087 0.85 GRIK1 (1.00) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7480169 0.81 GRIA1 (0.71) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7668821 0.81 GRIA1 (0.79) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7666010 0.81 GRIA1 (0.73) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7666995 0.81 GRIA1 (1.00) 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 3 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
WO-1996019476-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1996-06-27 WO disclosed