SCHEMBL7162199

SCHEMBL7162199

O=C(c1cc2ccc(O)cc2[nH]1)N1CCC(Oc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.74
GRIN3B O60391 5/20 0.74
GRIN1 Q05586 5/20 0.74
GRIN2A Q12879 5/20 0.74
GRIN2B Q13224 5/20 0.74
GRIN2C Q14957 5/20 0.74
GRIN3A Q8TCU5 5/20 0.74
HRH4 Q9H3N8 1/20 0.60
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL7155925 0.85 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7159245 0.84 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7202375 0.84 GRIN2D (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4519952 0.84 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7173010 0.82 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7172096 0.82 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7176141 0.82 HRH4 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16599280 0.81 HRH4 (0.63) HRH4MEN1KMT2A
SCHEMBL4813274 0.81 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7176825 0.81 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 4 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 claimed
WO-2002034718-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2002-05-02 WO claimed
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