SCHEMBL6604562

SCHEMBL6604562

CCOC(=O)c1nc2cc(-n3ccnc3COC(=O)Nc3cc4ccccc4o3)c(C(F)(F)F)cc2[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.43
GRIA2 P42262 2/20 0.43
GRIA3 P42263 2/20 0.43
GRIA4 P48058 2/20 0.43
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL7704789 0.88 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6603453 0.85 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6604560 0.85 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6603311 0.85 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL6603493 0.84 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6605093 0.80 GRIA1 (0.62) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6602297 0.77 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6603908 0.76 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6607550 0.76 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6608183 0.73 GRIA1 (0.75) 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