SCHEMBL7202375

SCHEMBL7202375

O=C(c1cc2ccc(O)cc2[nH]1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.71
GRIN3B O60391 5/20 0.71
GRIN1 Q05586 5/20 0.71
GRIN2A Q12879 5/20 0.71
GRIN2B Q13224 5/20 0.71
GRIN2C Q14957 5/20 0.71
GRIN3A Q8TCU5 5/20 0.71
HRH4 Q9H3N8 1/20 0.62
RBP4 P02753 1/20 0.53
AKR1C3 P42330 1/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL27306947 0.88 AKR1C3 (0.66) HRH4RBP4AKR1C3
SCHEMBL7162199 0.84 GRIN2D (0.74) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7172096 0.84 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7176141 0.84 HRH4 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4813274 0.83 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7176853 0.82 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7159245 0.82 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7170712 0.81 GRIN2D (0.74) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27660821 0.81 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7155925 0.80 GRIN2D (1.00) 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