SCHEMBL8673142

SCHEMBL8673142

NCc1cccn1-c1cc2c(cc1[N+](=O)[O-])[nH]c(=O)c(=O)n2C1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.43
GRIA1 P42261 3/20 0.43
GRIA2 P42262 3/20 0.43
GRIA3 P42263 3/20 0.43
GRIA4 P48058 3/20 0.43
GRIK2 Q13002 3/20 0.43
GRIK5 Q16478 3/20 0.43
OPRM1 P35372 3/20 0.42
OPRL1 P41146 3/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
GRIK3 Q13003 2/20 0.41
GRIK4 Q16099 2/20 0.41

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
SCHEMBL8672915 0.84 GRIK1 (0.39) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8675868 0.83 GRIA1 (0.53) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8674016 0.83 GRIA1 (0.64) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8611345 0.82 GRIK1 (0.57) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8610303 0.81 GRIK1 (0.41) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8611525 0.78 GRIK1 (0.57) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8612845 0.78 OPRM1 (0.39) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8612024 0.78 OPRL1 (0.48) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8609461 0.77 GRIK1 (0.61) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8611278 0.76 GRIK1 (0.47) GRIK1GRIA1GRIA2GRIA3GRIA4

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
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