SCHEMBL7480820

SCHEMBL7480820

O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CCC(c5ccccc5)CC4)c3)cc2n(C2CCCCC2)c1=O

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 9/20 0.75
GRIK2 Q13002 9/20 0.75
GRIK3 Q13003 7/20 0.75
GRIK5 Q16478 7/20 0.75
GRIA1 P42261 6/20 0.51
GRIA2 P42262 6/20 0.51
GRIA3 P42263 6/20 0.51
GRIA4 P48058 6/20 0.51
GRIK4 Q16099 2/20 0.47
DRD4 P21917 1/20 0.44

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
SCHEMBL8672407 0.92 GRIK1 (0.69) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL9059770 0.89 GRIK1 (0.61) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7484906 0.85 GRIK1 (1.00) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL8674016 0.83 GRIA1 (0.64) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7483663 0.81 GRIK1 (0.83) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL8674102 0.79 GRIA1 (0.72) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7480931 0.79 GRIA1 (0.61) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL8674811 0.79 GRIA1 (0.61) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL8611345 0.78 GRIK1 (0.57) GRIK1GRIK2GRIK3GRIK5GRIA1
SCHEMBL7665623 0.78 GRIA1 (0.66) 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