SCHEMBL8500329

SCHEMBL8500329

C[C](C)N(C)Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 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
SCHEMBL8562825 0.87 GRIN1 (0.55) GRIN1
Bromide SCHEMBL8092139 0.85 GRIN1 (0.54) GRIN1
SCHEMBL8500903 0.84 GRIN1 (0.53) GRIN1
SCHEMBL8086919 0.83
SCHEMBL8086916 0.83 GRIN1 (0.47) GRIN1
SCHEMBL8566428 0.82 GRIN1 (0.52) GRIN1
SCHEMBL8501850 0.82 GRIN1 (0.51) GRIN1
SCHEMBL8570407 0.82 GRIN1 (0.51) GRIN1
SCHEMBL8566608 0.82 GRIN1 (0.53) GRIN1
Bromide SCHEMBL8092191 0.81 GRIN1 (0.51) 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