SCHEMBL7287451

SCHEMBL7287451

Cc1ccc(CC2(O)CCN(CCOC(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.62
GRIN3B O60391 1/20 0.62
MAPT P10636 1/20 0.62
GRIN1 Q05586 1/20 0.62
GRIN2A Q12879 1/20 0.62
GRIN2B Q13224 1/20 0.62
GRIN2C Q14957 1/20 0.62
GRIN3A Q8TCU5 1/20 0.62
CHRNB2 P17787 1/20 0.48
CHRNA5 P30532 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 4/20 0.47
EGFR P00533 5/20 0.46
KCNA5 P22460 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LTA4H P09960 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
SCHEMBL7284871 0.95 GRIN2D (0.58) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL7289245 0.88 GRIN2D (0.79) GRIN2DGRIN3BMAPTGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6207982 0.87 GRIN2D (0.78) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL7286160 0.86 GRIN2B (0.69) GRIN2DGRIN3BMAPTGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7287485 0.85 GRIN2B (0.67) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL7294406 0.84 MAPT (0.56) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL7285720 0.83 GRIN2D (0.55) GRIN2DGRIN3BMAPTGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7296447 0.83 MAPT (0.55) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL7285242 0.83 MAPT (0.54) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL7286173 0.81 LTA4H (0.67) 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 2 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
EP-0824098-A1 4-hydroxy-piperidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-02-18 EP disclosed