SCHEMBL5973591

SCHEMBL5973591

O=c1[nH]c2cc([N+](=O)[O-])cc(CNC(c3ccco3)P(=O)(O)O)c2[nH]c1=O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.68
GRIN2D O15399 5/20 0.68
GRIN3B O60391 5/20 0.68
GRIN2A Q12879 5/20 0.68
GRIN2B Q13224 5/20 0.68
GRIN2C Q14957 5/20 0.68
GRIN3A Q8TCU5 5/20 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
Hydrochloric Acid SCHEMBL5973782 0.99 GRIN1 (0.67) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5973556 0.85 GRIN1 (0.69) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5973847 0.85 GRIN1 (0.58) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Bromide SCHEMBL5973260 0.84 GRIN1 (0.69) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Hydrochloric Acid SCHEMBL5973378 0.84 GRIN1 (0.57) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5974170 0.83 GRIN1 (0.67) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Bromide SCHEMBL5973959 0.83 GRIN1 (0.66) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Bromide SCHEMBL5973842 0.83 GRIN1 (0.66) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5974209 0.82 GRIN1 (0.64) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Bromide SCHEMBL5973774 0.81 GRIN1 (0.63) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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-0934326-B1 SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS NOVARTIS AG (CH) 2006-05-03 EP claimed
EP-0934326-B1 SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS NOVARTIS AG (CH) 2006-05-03 EP disclosed