SCHEMBL6891428

SCHEMBL6891428

O=C(O)NC(Cc1ccccc1)C(O)CNCc1ccc(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.57
SLC6A11 P48066 1/20 0.57
BCHE P06276 8/20 0.55
CTSD P07339 2/20 0.49

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
SCHEMBL7611860 1.00 BACE1 (0.57) BACE1SLC6A11BCHECTSD
SCHEMBL7611853 1.00 BACE1 (0.57) BACE1SLC6A11BCHECTSD
SCHEMBL7610032 0.87 BACE1 (0.71) BACE1SLC6A11BCHE
SCHEMBL7610027 0.87 BACE1 (0.71) BACE1SLC6A11BCHE
SCHEMBL7613784 0.87 BCHE (0.56) BACE1SLC6A11BCHECTSD
SCHEMBL7613771 0.87 BCHE (0.56) BACE1SLC6A11BCHECTSD
SCHEMBL7607054 0.85 BACE1 (0.58) BACE1SLC6A11BCHECTSD
SCHEMBL7607057 0.85 BACE1 (0.58) BACE1SLC6A11BCHECTSD
SCHEMBL6895248 0.84 BACE1 (0.56) BACE1SLC6A11BCHECTSD
SCHEMBL7607369 0.84 BACE1 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed