SCHEMBL6602099

SCHEMBL6602099

CCOC(=O)c1ccc(NC(=O)NCc2cn(-c3cc4nc(C(=O)OCC)c(=O)[nH]c4cc3C(F)(F)F)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 6/20 0.63
GRIA2 P42262 6/20 0.63
GRIA3 P42263 6/20 0.63
GRIA4 P48058 6/20 0.63
GRIK1 P39086 2/20 0.54
GRIK2 Q13002 2/20 0.54
GRIK3 Q13003 2/20 0.54
GRIK4 Q16099 2/20 0.54
GRIK5 Q16478 2/20 0.54
NAMPT P43490 2/20 0.43

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
SCHEMBL6602695 0.89 GRIA1 (0.79) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6607049 0.88 GRIA1 (0.81) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602666 0.87 GRIA1 (0.77) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6603091 0.83 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6608183 0.83 GRIA1 (0.75) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6602498 0.82 GRIA1 (0.71) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6603448 0.82 GRIA1 (0.72) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6606394 0.81 GRIA1 (0.70) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602684 0.81 GRIA1 (0.64) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6601994 0.81 GRIA1 (0.70) 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