SCHEMBL4672719

SCHEMBL4672719

O=c1[nH]c2ccc(C=CCN3CCC(Cc4ccc(F)cc4)CC3)cc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 6/20 0.66
▸ GRIN1 Q05586 6/20 0.60
▸ GRIN2D O15399 2/20 0.53
▸ GRIN3B O60391 2/20 0.53
▸ GRIN2A Q12879 2/20 0.53
▸ GRIN2C Q14957 2/20 0.53
▸ GRIN3A Q8TCU5 2/20 0.53

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
SCHEMBL4672713 1.00 GRIN2B (0.66) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4674828 0.85 GRIN2B (0.63) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4674832 0.85 GRIN2B (0.63) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4672490 0.84 GRIN2B (0.62) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4672495 0.84 GRIN2B (0.62) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL7237621 0.79 GRIN2B (0.61) GRIN2B
SCHEMBL4672241 0.79 GRIN2B (0.60) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4672245 0.79 GRIN2B (0.60) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4675292 0.78 GRIN2B (0.55) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4672506 0.78 GRIN2B (0.59) GRIN2BGRIN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068202-B1 1-(3-HETEROARYLPROPYL- OR -PROP-2-ENYL)-4-BENZYLPIPERIDINES USED AS NMDA RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2008-12-03 — — EP claimed
EP-1068202-A1 1-(3-HETEROARYLPROPYL- OR -PROP-2-ENYL)-4-BENZYLPIPERIDINES USED AS NMDA RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2001-01-17 — — EP claimed
WO-1999048891-A1 1-(3-HETEROARYLPROPYL- OR -PROP-2-ENYL)-4-BENZYLPIPERIDINES USED AS NMDA RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1999-09-30 — — WO claimed
EP-1068202-B1 1-(3-HETEROARYLPROPYL- OR -PROP-2-ENYL)-4-BENZYLPIPERIDINES USED AS NMDA RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2008-12-03 — — EP disclosed
US-6548516-B1 (NMDA=N-methyl-D-aspartate); where the heteroaryl is 3H-benzoxazol-2-one, 3H-benzothiazol-2-one, 3H-benzimidazol-2-one or indolin-2-one; excitatory amino acid antagonists for combating neurodegenerative disorders MERCK PATENT GMBH (DE) 2003-04-15 — — US disclosed
EP-1068202-A1 1-(3-HETEROARYLPROPYL- OR -PROP-2-ENYL)-4-BENZYLPIPERIDINES USED AS NMDA RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2001-01-17 — — EP disclosed
WO-1999048891-A1 1-(3-HETEROARYLPROPYL- OR -PROP-2-ENYL)-4-BENZYLPIPERIDINES USED AS NMDA RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1999-09-30 — — WO disclosed
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