SCHEMBL7286173

SCHEMBL7286173

OC1(Cc2ccccc2)CCN(CCOc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.67
GRIN2D O15399 1/20 0.67
GRIN3B O60391 1/20 0.67
MAPT P10636 1/20 0.67
GRIN1 Q05586 1/20 0.67
GRIN2A Q12879 1/20 0.67
GRIN2B Q13224 1/20 0.67
GRIN2C Q14957 1/20 0.67
GRIN3A Q8TCU5 1/20 0.67
HTT P42858 2/20 0.63
KDM4E B2RXH2 5/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPY1R P25929 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
KCNH2 Q12809 2/20 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
SCHEMBL7294820 0.94 KDM4E (0.64) LTA4HGRIN2DGRIN3BMAPTGRIN1
SCHEMBL6208225 0.93 GRIN2D (0.62) LTA4HGRIN2DGRIN3BMAPTGRIN1
SCHEMBL7289245 0.93 GRIN2D (0.79) LTA4HGRIN2DGRIN3BMAPTGRIN1
SCHEMBL7295960 0.93 GRIN2D (0.65) LTA4HGRIN2DGRIN3BMAPTGRIN1
SCHEMBL6207318 0.92 GRIN2D (0.78) LTA4HGRIN2DGRIN3BMAPTGRIN1
Hydrochloric Acid SCHEMBL6207982 0.92 GRIN2D (0.78) LTA4HGRIN2DGRIN3BMAPTGRIN1
SCHEMBL6207626 0.92 GRIN2D (0.65) LTA4HGRIN2DGRIN3BMAPTGRIN1
Hydrochloric Acid SCHEMBL6207785 0.91 GRIN2D (0.76) LTA4HGRIN2DGRIN3BMAPTGRIN1
Hydrochloric Acid SCHEMBL6208483 0.91 GRIN2D (0.64) LTA4HGRIN2DGRIN3BMAPTGRIN1
SCHEMBL7290504 0.87 KDM4E (0.57) LTA4HGRIN2DGRIN3BMAPTGRIN1

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