SCHEMBL8617532

SCHEMBL8617532

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

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 18/20 0.68
GRIN3B O60391 18/20 0.68
GRIN1 Q05586 18/20 0.68
GRIN2A Q12879 18/20 0.68
GRIN2B Q13224 18/20 0.68
GRIN2C Q14957 18/20 0.68
GRIN3A Q8TCU5 18/20 0.68

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
SCHEMBL8613799 0.96 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8614570 0.91 GRIN2D (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8619165 0.81 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8614543 0.77 GRIN1 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8619216 0.77 GRIN1 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8613102 0.76 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8613105 0.76 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8615604 0.73 GRIN1 (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8615504 0.73 GRIN1 (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8619230 0.70 GRIN2D (0.52) 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