SCHEMBL6205885

SCHEMBL6205885

O=C(O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC12CCC(CC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.43
SLC6A11 P48066 1/20 0.43
BCHE P06276 1/20 0.41
CTSD P07339 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
SCHEMBL6205880 1.00 BACE1 (0.43) BACE1SLC6A11BCHECTSD
SCHEMBL5379155 0.80 F2 (0.42) BCHE
SCHEMBL5379400 0.79 KLK5 (0.54)
SCHEMBL5379391 0.79 KLK5 (0.54)
SCHEMBL5379396 0.79 KLK5 (0.54)
SCHEMBL2841652 0.79 BACE1 (0.52) BACE1SLC6A11BCHE
SCHEMBL8578649 0.79 BACE1 (0.52) BACE1SLC6A11BCHE
Hydrochloric Acid SCHEMBL5219159 0.79 F2 (0.41) BCHE
SCHEMBL5930039 0.77 BACE1 (0.53) BACE1SLC6A11BCHECTSD
SCHEMBL5930046 0.77 BACE1 (0.53) BACE1SLC6A11BCHECTSD

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-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed