SCHEMBL8500330

SCHEMBL8500330

CC(C)C[CH]NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.61

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
SCHEMBL8500170 0.85 GRIN1 (0.56) GRIN1
SCHEMBL8500945 0.84 GRIN1 (0.61) GRIN1
SCHEMBL8571578 0.82 GRIN1 (0.74) GRIN1
Bromide SCHEMBL8085837 0.81 GRIN1 (0.73) GRIN1
SCHEMBL8085765 0.80 GRIN1 (0.65) GRIN1
Bromide SCHEMBL8090285 0.79 GRIN1 (0.63) GRIN1
SCHEMBL27513153 0.78 GRIN1 (0.62) GRIN1
SCHEMBL8498041 0.77 GRIN1 (0.61) GRIN1
SCHEMBL8570443 0.77 GRIN1 (0.71) GRIN1
SCHEMBL8571722 0.77 GRIN1 (0.71) GRIN1

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