SCHEMBL6602743

SCHEMBL6602743

O=C(NCc1ccn(-c2cc3nc(C(=O)O)c(=O)[nH]c3cc2C(F)(F)F)c1)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 12/20 0.79
GRIA2 P42262 12/20 0.79
GRIA3 P42263 12/20 0.79
GRIA4 P48058 12/20 0.79
GRIK1 P39086 9/20 0.68
GRIK2 Q13002 9/20 0.68
GRIK3 Q13003 9/20 0.68
GRIK4 Q16099 9/20 0.68
GRIK5 Q16478 9/20 0.68

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
SCHEMBL6601420 0.94 GRIA1 (0.69) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6605210 0.94 GRIA1 (0.68) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6605388 0.93 GRIA1 (0.68) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6601674 0.92 GRIA1 (0.70) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6380883 0.90 GRIA1 (0.62) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602262 0.89 GRIA1 (0.74) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602635 0.89 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6606472 0.88 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6375949 0.88 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6376959 0.88 GRIA1 (0.60) 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 7 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 claimed
US-6348461-B1 CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US claimed
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 claimed
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
JP-2000080085-A 6,7-ASYMMETRIC DISUBSTITUTED QUINOXALINE-CARBOXYLIC ACID, ITS ADDITION SALT AND ITS PRODUCTION KYORIN PHARMACEUT CO LTD 2000-03-21 JP disclosed