SCHEMBL8565293

SCHEMBL8565293

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

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.57

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
SCHEMBL8569356 1.00 GRIN1 (0.57) GRIN1
Bromide SCHEMBL8078998 0.99 GRIN1 (0.56) GRIN1
Bromide SCHEMBL8090176 0.99 GRIN1 (0.56) GRIN1
SCHEMBL8569069 0.87 GRIN1 (0.60) GRIN1
Bromide SCHEMBL8092086 0.86 GRIN1 (0.59) GRIN1
Hydrochloric Acid SCHEMBL8086947 0.84 GRIN1 (0.62) GRIN1
SCHEMBL8561769 0.84 GRIN1 (0.65) GRIN1
Hydrochloric Acid SCHEMBL8090429 0.83 GRIN1 (0.64) GRIN1
SCHEMBL8571314 0.83 GRIN1 (0.54) GRIN1
SCHEMBL8569695 0.83 GRIN1 (0.38) 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