SCHEMBL8548110

SCHEMBL8548110

O=C1Cc2cc(C(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2N1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.64
GRIN1 Q05586 4/20 0.62
GRIN2D O15399 1/20 0.62
GRIN3B O60391 1/20 0.62
GRIN2A Q12879 1/20 0.62
GRIN2C Q14957 1/20 0.62
GRIN3A Q8TCU5 1/20 0.62
ACHE P22303 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
SCHEMBL8543338 0.90 GRIN1 (0.64) GRIN2BGRIN1ACHE
SCHEMBL8546768 0.88 GRIN2B (0.61) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4671945 0.83 GRIN2B (0.58) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8542972 0.82 GRIN2B (0.60) GRIN2BGRIN1ACHE
SCHEMBL8547611 0.82 GRIN2B (0.61) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8549819 0.81 GRIN2B (0.58) GRIN2BGRIN1ACHE
SCHEMBL27460009 0.80 GRIN2B (0.64) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL7402784 0.80 MAOB (0.65) GRIN2BGRIN1ACHE
SCHEMBL8542333 0.80 GRIN2B (0.73) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL27389763 0.80 GRIN2B (0.58) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A

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