SCHEMBL8086905

SCHEMBL8086905

O=C(CCc1ccccc1)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.62
GRIN3B O60391 3/20 0.62
GRIN1 Q05586 3/20 0.62
GRIN2A Q12879 3/20 0.62
GRIN2B Q13224 3/20 0.62
GRIN2C Q14957 3/20 0.62
GRIN3A Q8TCU5 3/20 0.62
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL8085710 0.89 GRIN2D (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8087304 0.83 GRIN1 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8078843 0.82 GRIN1 (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8078979 0.82 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8092107 0.81 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8085840 0.81 GRIN1 (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8563630 0.80 GRIN1 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8086083 0.80 GRIN1 (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8086878 0.80 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8090462 0.80 GRIN1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 5 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
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed