SCHEMBL8570443

SCHEMBL8570443

C[C@H](NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)C(=O)O

nearest known ligand 0.98

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.71

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
SCHEMBL8571722 1.00 GRIN1 (0.71) GRIN1
Bromide SCHEMBL8078958 0.99 GRIN1 (0.69) GRIN1
Bromide SCHEMBL8078960 0.99 GRIN1 (0.69) GRIN1
SCHEMBL8086897 0.89 GRIN1 (0.59) GRIN1
SCHEMBL8570344 0.89 GRIN1 (0.68) GRIN1
SCHEMBL8571243 0.88 GRIN1 (0.67) GRIN1
Bromide SCHEMBL8079016 0.88 GRIN1 (0.67) GRIN1
SCHEMBL8561950 0.88 GRIN1 (0.64) GRIN1
SCHEMBL8571255 0.88 GRIN1 (0.67) GRIN1
Bromide SCHEMBL8087189 0.87 GRIN1 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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