SCHEMBL7295960

SCHEMBL7295960

COc1ccc(CC2(O)CCN(CCOc3ccc(OCc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.65
GRIN3B O60391 1/20 0.65
MAPT P10636 1/20 0.65
GRIN1 Q05586 1/20 0.65
GRIN2A Q12879 1/20 0.65
GRIN2B Q13224 1/20 0.65
GRIN2C Q14957 1/20 0.65
GRIN3A Q8TCU5 1/20 0.65
LTA4H P09960 6/20 0.58
HTT P42858 2/20 0.56
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
MMP1 P03956 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
ADAM17 P78536 1/20 0.51
BCHE P06276 1/20 0.51

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
SCHEMBL7286173 0.93 LTA4H (0.67) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL7289245 0.91 GRIN2D (0.79) GRIN2DGRIN3BMAPTGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6207982 0.90 GRIN2D (0.78) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL6208225 0.89 GRIN2D (0.62) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL7297969 0.89 GRIN2B (0.82) GRIN2DGRIN3BMAPTGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7393665 0.87 GRIN2B (0.80) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL7294820 0.87 KDM4E (0.64) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL6207318 0.86 GRIN2D (0.78) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL6207626 0.86 GRIN2D (0.65) GRIN2DGRIN3BMAPTGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6207785 0.85 GRIN2D (0.76) GRIN2DGRIN3BMAPTGRIN1GRIN2A

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