SCHEMBL5216600

SCHEMBL5216600

N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(CC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.49
BCHE P06276 7/20 0.49
CSNK1E P49674 1/20 0.43
F2 P00734 1/20 0.43
LMNA P02545 1/20 0.40

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
SCHEMBL13073581 0.87 BCHE (0.48) BACE1BCHECSNK1EF2LMNA
SCHEMBL3455222 0.86 BACE1 (0.62) BACE1BCHE
SCHEMBL161260 0.86 BACE1 (0.62) BACE1BCHE
SCHEMBL8276492 0.86 BACE1 (0.62) BACE1BCHE
Hydrochloric Acid SCHEMBL2499284 0.85 BACE1 (0.61) BACE1BCHE
SCHEMBL257187 0.85 BACE1 (0.49) BACE1BCHE
SCHEMBL4043821 0.84 BACE1 (0.48) BACE1BCHECSNK1EF2LMNA
SCHEMBL4691037 0.84 BACE1 (0.56) BACE1BCHECSNK1EF2
SCHEMBL3353939 0.83 BCHE (0.61) BACE1BCHECSNK1EF2LMNA
SCHEMBL496172 0.83 BCHE (0.61) BACE1BCHECSNK1EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed