SCHEMBL6652329

SCHEMBL6652329

O=c1[nH]c2cc([N+](=O)[O-])cc(CNCCCP(=O)(O)O)c2[nH]c1=O

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.65

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
Bromide SCHEMBL6652956 0.99 GRIN1 (0.64) GRIN1
SCHEMBL6650457 0.97 GRIN1 (0.64) GRIN1
Bromide SCHEMBL6652277 0.96 GRIN1 (0.62) GRIN1
SCHEMBL6650258 0.94 GRIN1 (0.69) GRIN1
Bromide SCHEMBL6652922 0.93 GRIN1 (0.67) GRIN1
SCHEMBL2391875 0.86 GRIN1 (0.70) GRIN1
SCHEMBL8566071 0.86 GRIN1 (0.57) GRIN1
Bromide SCHEMBL6648847 0.85 GRIN1 (0.69) GRIN1
Hydrochloric Acid SCHEMBL8092018 0.85 GRIN1 (0.56) GRIN1
SCHEMBL5974311 0.84 GRIN1 (0.61) GRIN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853617-B1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 2004-03-03 EP claimed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP claimed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO claimed
EP-0853617-B1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 2004-03-03 EP disclosed