SCHEMBL6602433

SCHEMBL6602433

O=C(O)c1nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.47
GRIA2 P42262 2/20 0.47
GRIA3 P42263 2/20 0.47
GRIA4 P48058 2/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
LMNA P02545 1/20 0.45
GRIK1 P39086 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIK2 Q13002 1/20 0.45
GRIK3 Q13003 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIK4 Q16099 1/20 0.45
GRIK5 Q16478 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45

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
SCHEMBL6602186 0.89 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL6616909 0.86 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6604929 0.85 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL6606082 0.81 GRIK1 (0.50) GRIK1GRIK2GRIK3GRIK5
SCHEMBL6605320 0.81 MAPT (0.49)
SCHEMBL6608026 0.80 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602077 0.78 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602538 0.78 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL6604714 0.77 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602342 0.76 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIN2D

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