SCHEMBL6601674

SCHEMBL6601674

O=C(NCc1ccn(-c2cc3nc(C(=O)O)c(=O)[nH]c3cc2C(F)(F)F)c1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 13/20 0.70
GRIA2 P42262 13/20 0.70
GRIA3 P42263 13/20 0.70
GRIA4 P48058 13/20 0.70
GRIK1 P39086 10/20 0.70
GRIK2 Q13002 10/20 0.70
GRIK3 Q13003 10/20 0.70
GRIK4 Q16099 10/20 0.70
GRIK5 Q16478 10/20 0.70

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
SCHEMBL6605210 0.93 GRIA1 (0.68) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6606472 0.92 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602743 0.92 GRIA1 (0.79) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6601420 0.88 GRIA1 (0.69) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6605388 0.88 GRIA1 (0.68) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602635 0.87 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6608104 0.87 GRIA1 (0.71) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6605031 0.85 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6604907 0.83 GRIA1 (0.64) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602262 0.81 GRIA1 (0.74) GRIA1GRIA2GRIA3GRIA4GRIK1

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