SCHEMBL8500822

SCHEMBL8500822

[CH2]N(Cc1cc(Cl)cc2[nH]c(=O)c(=O)[nH]c12)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 8/20 0.53
▸ GRIN2D O15399 5/20 0.53
▸ GRIN3B O60391 5/20 0.53
▸ GRIN2A Q12879 5/20 0.53
▸ GRIN2B Q13224 5/20 0.53
▸ GRIN2C Q14957 5/20 0.53
▸ GRIN3A Q8TCU5 5/20 0.53
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ GRIA1 P42261 1/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ GRIA3 P42263 1/20 0.37
▸ GRIA4 P48058 1/20 0.37

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
SCHEMBL8498189 0.85 GRIN1 (0.55) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8499247 0.84 GRIN1 (0.53) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5973955 0.81 GRIN1 (0.61) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Phosphonic Acid SCHEMBL8193513 0.81 GRIN1 (0.50) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8500917 0.75 GRIN1 (0.56) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8500955 0.74 GRIN1 (0.48) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Phosphonic Acid SCHEMBL27504235 0.73 GRIN1 (0.60) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5973604 0.72 GRIN1 (0.62) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Bromide SCHEMBL5973853 0.71 GRIN1 (0.61) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Phosphonic Acid SCHEMBL8193317 0.69 GRIN1 (0.46) 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-A1 SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS Novartis AG (CH) 1999-08-11 — — EP claimed
WO-1998017672-A1 SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS NOVARTIS AG (CH) 1998-04-30 — — WO claimed
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