SCHEMBL5219988

SCHEMBL5219988

COc1cccc(CNC[C@@H](O)[C@H](Cc2cccc(F)c2)N(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.50
BCHE P06276 2/20 0.49
BACE2 Q9Y5Z0 1/20 0.47
CTSD P07339 1/20 0.47

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
SCHEMBL5219998 1.00 BACE1 (0.50) BACE1BCHEBACE2CTSD
SCHEMBL5219985 0.94 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL5219994 0.94 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL5215886 0.91 BCHE (0.47) BACE1BCHECTSD
SCHEMBL5215878 0.91 BCHE (0.47) BACE1BCHECTSD
SCHEMBL5226080 0.85 BCHE (0.47) BACE1BCHECTSD
SCHEMBL5226085 0.85 BCHE (0.47) BACE1BCHECTSD
SCHEMBL5218538 0.84 BCHE (0.47) BACE1BCHEBACE2CTSD
SCHEMBL5223382 0.84 BCHE (0.47) BACE1BCHECTSD
SCHEMBL5218547 0.84 BCHE (0.47) BACE1BCHEBACE2CTSD

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