SCHEMBL6603956

SCHEMBL6603956

Cc1c[nH]c(-c2cc3nc(C(=O)O)c(=O)[nH]c3cc2[N+](=O)[O-])n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
LMNA P02545 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIK4 Q16099 1/20 0.46
GRIK5 Q16478 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46

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
SCHEMBL6603000 0.86 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL6603480 0.85 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL6604296 0.85 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL6605528 0.82 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6602535 0.81 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL6603284 0.81 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6604401 0.81 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8374099 0.80 GRIN2D (0.50) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL6602832 0.79 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6607593 0.79 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4

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-1020453-B1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-05-19 EP disclosed
US-6348461-B1 CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1020453-A1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed