SCHEMBL6604641

SCHEMBL6604641

CCCN(CCC)C(=O)c1cc(C(N)=O)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C(O)CC(C)O)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.64
CTSD P07339 3/20 0.64
BACE2 Q9Y5Z0 9/20 0.57

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
SCHEMBL6352134 0.89 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL6342366 0.88 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL6345930 0.88 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL6352146 0.88 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL6345858 0.88 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL6344834 0.87 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL6076417 0.86 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL6076424 0.86 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL8364584 0.86 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL6343737 0.86 BACE1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395251-A2 AMINEDIOLS AS AGENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-10 EP claimed
WO-2002100818-A2 AMINEDIOLS AS AGENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO claimed