SCHEMBL8619230

SCHEMBL8619230

O=c1[nH]c2cccc(C=CCCP(=O)(O)O)c2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 19/20 0.52
GRIN3B O60391 19/20 0.52
GRIN1 Q05586 19/20 0.52
GRIN2A Q12879 19/20 0.52
GRIN2B Q13224 19/20 0.52
GRIN2C Q14957 19/20 0.52
GRIN3A Q8TCU5 19/20 0.52

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
SCHEMBL8619227 1.00 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8615534 0.86 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8615539 0.86 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8620313 0.82 GRIN1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8617409 0.82 GRIN1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8617412 0.82 GRIN1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8620316 0.82 GRIN1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8614597 0.79 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8614592 0.79 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8614570 0.73 GRIN2D (0.72) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837864-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS Novartis AG (CH) 1998-04-29 EP claimed
WO-1997003079-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS NOVARTIS AG (CH) 1997-01-30 WO claimed
EP-0837864-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS Novartis AG (CH) 1998-04-29 EP disclosed
WO-1997003079-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS NOVARTIS AG (CH) 1997-01-30 WO disclosed