SCHEMBL8342187

SCHEMBL8342187

O=c1[nH]c2cc([N+](=O)[O-])c(N3CCOCC3)cc2n(CCP(=O)(O)O)c1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.50
GRIK2 Q13002 5/20 0.50
GRIK3 Q13003 5/20 0.50
GRIK4 Q16099 4/20 0.50
GRIK5 Q16478 4/20 0.50
GRIA1 P42261 2/20 0.47
GRIA2 P42262 2/20 0.47
GRIA3 P42263 2/20 0.47
GRIA4 P48058 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 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
SCHEMBL8107840 0.90 GRIA1 (0.50) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8344895 0.86 GRIA1 (0.50) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8108014 0.81 ALDH1A1 (0.40)
SCHEMBL8115792 0.80 GRIK1 (0.46) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8342344 0.80 GRIK1 (0.42) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8346068 0.78 SLC22A6 (0.72) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8342205 0.77 ALDH1A1 (0.40)
SCHEMBL8120416 0.77 GRIK1 (0.42) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8343088 0.76 GRIK1 (0.39) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8342193 0.76 HTT (0.41) GRIK1GRIK2GRIK3GRIK4GRIK5

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-5955461-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-09-21 US claimed
US-5750525-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-12 US claimed