SCHEMBL8546370

SCHEMBL8546370

O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.82
GRIN2B Q13224 4/20 0.82
GRIN2D O15399 3/20 0.82
GRIN3B O60391 3/20 0.82
GRIN2A Q12879 3/20 0.82
GRIN2C Q14957 3/20 0.82
GRIN3A Q8TCU5 3/20 0.82
ENPP2 Q13822 4/20 0.67
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNH2 Q12809 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
SCHEMBL1908150 0.90 GRIN2B (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7418720 0.87 GRIN2B (0.74) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7959501 0.86 ENPP2 (0.74) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7000889 0.84 GRIN1 (0.60) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL108026 0.84 GRIN2B (0.67) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL8546472 0.84 GRIN1 (0.60) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL8547576 0.84 GRIN2B (0.67) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL8109896 0.83 GRIN1 (0.69) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7528460 0.82 GRIN2B (0.79) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7418723 0.82 GRIN1 (0.62) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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-0709384-B1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GMBH (DE) 1998-12-23 EP disclosed
EP-0709384-A1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GmbH (DE) 1996-05-01 EP disclosed