SCHEMBL7169459

SCHEMBL7169459

O=C(c1cc2c(O)cccc2[nH]1)N1CCC(OCc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 9/20 0.74
GRIN3B O60391 9/20 0.74
GRIN1 Q05586 9/20 0.74
GRIN2A Q12879 9/20 0.74
GRIN2B Q13224 9/20 0.74
GRIN2C Q14957 9/20 0.74
GRIN3A Q8TCU5 9/20 0.74
HRH4 Q9H3N8 1/20 0.58
MAPT P10636 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL7161869 0.89 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7158407 0.85 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7171812 0.84 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4514981 0.83 GRIN2D (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7159245 0.82 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7176317 0.82 GRIN2D (0.84) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23835865 0.81 HRH4 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7160016 0.80 GRIN2D (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7199235 0.79 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7176825 0.76 GRIN2D (0.88) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-1328514-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2003-07-23 EP disclosed
WO-2002034718-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2002-05-02 WO disclosed