SCHEMBL8500730

SCHEMBL8500730

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.57
MEN1 O00255 1/20 0.57
CYP2C9 P11712 1/20 0.57
GRIK1 P39086 1/20 0.57
GRIA1 P42261 1/20 0.57
GRIA2 P42262 1/20 0.57
GRIA3 P42263 1/20 0.57
GRIA4 P48058 1/20 0.57
KMT2A Q03164 1/20 0.57
GRIK2 Q13002 1/20 0.57
GRIK3 Q13003 1/20 0.57
GRIK4 Q16099 1/20 0.57
GRIK5 Q16478 1/20 0.57
GRIN2D O15399 4/20 0.54
GRIN3B O60391 4/20 0.54
GRIN2A Q12879 4/20 0.54
GRIN2B Q13224 4/20 0.54
GRIN2C Q14957 4/20 0.54
GRIN3A Q8TCU5 4/20 0.54

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
SCHEMBL8501451 0.86 GRIN1 (0.58) GRIN1MEN1CYP2C9GRIK1GRIA1
SCHEMBL8499347 0.85 GRIN1 (0.60) GRIN1MEN1CYP2C9GRIK1GRIA1
SCHEMBL8501801 0.80 GRIN1 (0.51) GRIN1MEN1CYP2C9GRIK1GRIA1
SCHEMBL7787746 0.79 GRIN1 (0.64) GRIN1MEN1CYP2C9GRIK1GRIA1
SCHEMBL8498392 0.79 GRIN1 (0.60) GRIN1MEN1CYP2C9GRIK1GRIA1
SCHEMBL8500332 0.79 GRIN1 (0.60) GRIN1MEN1CYP2C9GRIK1GRIA1
SCHEMBL8085876 0.78 GRIN1 (0.61) GRIN1MEN1CYP2C9GRIK1GRIA1
SCHEMBL8085960 0.78 GRIN1 (0.56) GRIN1MEN1CYP2C9GRIK1GRIA1
SCHEMBL8500945 0.78 GRIN1 (0.61) GRIN1
SCHEMBL12643355 0.77 GRIN1 (0.69) GRIN1MEN1CYP2C9GRIK1GRIA1

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