SCHEMBL5220103

SCHEMBL5220103

NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C2CCCC2)cc(N2CCCCS2(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.52
BACE2 Q9Y5Z0 16/20 0.52
CTSD P07339 16/20 0.52

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
SCHEMBL5220089 1.00 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL5220753 0.97 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL5220758 0.97 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL5220095 0.93 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL5222251 0.90 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL5220746 0.90 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL5220158 0.89 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL5220147 0.89 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL5219452 0.88 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL5223499 0.86 BACE1 (0.68) BACE1BACE2CTSD

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