SCHEMBL6604401

SCHEMBL6604401

Cc1ccc(NC(=O)OCc2c[nH]c(-c3cc4nc(C(=O)O)c(=O)[nH]c4cc3[N+](=O)[O-])n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.58
GRIA2 P42262 2/20 0.58
GRIA3 P42263 2/20 0.58
GRIA4 P48058 2/20 0.58

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
SCHEMBL6603980 0.93 GRIA1 (0.67) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6602621 0.93 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6605226 0.92 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6601828 0.92 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6604985 0.92 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6603550 0.92 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6605453 0.92 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6606015 0.92 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6606898 0.92 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6603048 0.90 GRIA1 (0.56) 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