SCHEMBL6890876

SCHEMBL6890876

CCCN(CCC)C(=O)c1cccc(C(=O)NC(Cc2ccccc2)[C@@H](O)CNCCc2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.64
CTSD P07339 9/20 0.57
BACE2 Q9Y5Z0 1/20 0.53

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
SCHEMBL3352209 1.00 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL3352026 1.00 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL5348231 0.92 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL3357669 0.89 BACE1 (0.69) BACE1CTSDBACE2
SCHEMBL3357736 0.89 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL3349928 0.89 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL3350166 0.89 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL3348727 0.87 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL5360796 0.87 BACE1 (0.77) BACE1CTSD
SCHEMBL3354727 0.87 BACE1 (0.72) BACE1CTSDBACE2

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