SCHEMBL6893263

SCHEMBL6893263

CC(C)CCNCC(O)C(Cc1ccccc1)NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.51
SLC6A11 P48066 1/20 0.51
BCHE P06276 3/20 0.51
CTSD P07339 1/20 0.50
LAP3 P28838 2/20 0.48
ANPEP P15144 1/20 0.48
RNPEP Q9H4A4 1/20 0.48
DNPEP Q9ULA0 1/20 0.48

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
SCHEMBL5439744 1.00 BACE1 (0.51) BACE1SLC6A11BCHECTSDLAP3
SCHEMBL5439746 1.00 BACE1 (0.51) BACE1SLC6A11BCHECTSDLAP3
SCHEMBL2188440 0.88 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL2843607 0.88 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL3324386 0.88 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL2843604 0.88 BACE1 (0.54) BACE1SLC6A11BCHE
Hydrochloric Acid SCHEMBL5387276 0.88 BACE1 (0.51) BACE1SLC6A11BCHECTSD
SCHEMBL7647681 0.87 L3MBTL1 (0.52) BACE1SLC6A11BCHECTSDANPEP
SCHEMBL8734455 0.87 L3MBTL1 (0.52) BACE1SLC6A11BCHECTSDANPEP
SCHEMBL7306846 0.86 BACE1 (0.60) BACE1SLC6A11BCHE

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