SCHEMBL7296362

SCHEMBL7296362

Cc1ccc(CC2(O)CCN(CCCOc3cccc(OCc4ccccc4)c3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.61
GRIN2B Q13224 2/20 0.61
GRIN2D O15399 1/20 0.61
GRIN3B O60391 1/20 0.61
MAPT P10636 1/20 0.61
GRIN2A Q12879 1/20 0.61
GRIN2C Q14957 1/20 0.61
GRIN3A Q8TCU5 1/20 0.61
KDM4E B2RXH2 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
MAOB P27338 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
Hydrochloric Acid SCHEMBL7288305 0.88 GRIN2D (0.66) GRIN1GRIN2BGRIN2DGRIN3BMAPT
SCHEMBL7289245 0.87 GRIN2D (0.79) GRIN1GRIN2BGRIN2DGRIN3BMAPT
SCHEMBL7287509 0.86 GRIN2D (0.58) GRIN1GRIN2BGRIN2DGRIN3BMAPT
Hydrochloric Acid SCHEMBL6207982 0.86 GRIN2D (0.78) GRIN1GRIN2BGRIN2DGRIN3BMAPT
SCHEMBL7294820 0.86 KDM4E (0.64) GRIN1GRIN2BGRIN2DGRIN3BMAPT
SCHEMBL7284871 0.84 GRIN2D (0.58) GRIN1GRIN2BGRIN2DGRIN3BMAPT
SCHEMBL6207790 0.83 GRIN2D (0.57) GRIN1GRIN2BGRIN2DGRIN3BMAPT
SCHEMBL7290504 0.82 KDM4E (0.57) GRIN1GRIN2BGRIN2DGRIN3BMAPT
SCHEMBL7286173 0.80 LTA4H (0.67) GRIN1GRIN2BGRIN2DGRIN3BMAPT
SCHEMBL4692610 0.79 GRIN2D (0.69) GRIN1GRIN2BGRIN2DGRIN3BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824098-B1 4-hydroxy-piperidine derivatives HOFFMANN LA ROCHE (CH) 2001-10-31 EP disclosed
US-5889026-A 4-hydroxy-piperodine derivatives HOFFMANN-LA ROCHE INC. (US) 1999-03-30 US disclosed
EP-0824098-A1 4-hydroxy-piperidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-02-18 EP disclosed