SCHEMBL8090397

SCHEMBL8090397

COC(=O)C(C)NCCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.79

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
Hydrochloric Acid SCHEMBL8091983 0.99 GRIN1 (0.56) GRIN1
SCHEMBL8086897 0.89 GRIN1 (0.59) GRIN1
SCHEMBL8090401 0.80 GRIN1 (0.55) GRIN1
SCHEMBL8570690 0.79 GRIN1 (0.62) GRIN1
Bromide SCHEMBL8086924 0.78 GRIN1 (0.61) GRIN1
SCHEMBL8570443 0.78 GRIN1 (0.71) GRIN1
SCHEMBL8571722 0.78 GRIN1 (0.71) GRIN1
Bromide SCHEMBL8078960 0.77 GRIN1 (0.69) GRIN1
Bromide SCHEMBL8078958 0.77 GRIN1 (0.69) GRIN1
SCHEMBL8090253 0.77

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-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
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed