SCHEMBL6896584

SCHEMBL6896584

O=C(O)NC(Cc1ccccc1)C(O)CN[C@@H](CO)C(O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.51
BACE1 P56817 6/20 0.50
SLC6A11 P48066 1/20 0.50

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
SCHEMBL7608508 1.00 BCHE (0.51) BCHEBACE1SLC6A11
SCHEMBL7608509 1.00 BCHE (0.51) BCHEBACE1SLC6A11
SCHEMBL5444827 0.88 MMP2 (0.56) BACE1
SCHEMBL5444816 0.88 MMP2 (0.56) BACE1
SCHEMBL7606956 0.86 BACE1 (0.51) BCHEBACE1SLC6A11
SCHEMBL7606952 0.86 BACE1 (0.51) BCHEBACE1SLC6A11
SCHEMBL7610959 0.83 CYP3A4 (0.49) BCHEBACE1SLC6A11
SCHEMBL27592784 0.83 CYP3A4 (0.49) BCHEBACE1SLC6A11
SCHEMBL7610965 0.83 CYP3A4 (0.49) BCHEBACE1SLC6A11
SCHEMBL5444846 0.82 BCHE (0.71) BCHEBACE1SLC6A11

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