SCHEMBL5343676

SCHEMBL5343676

CCCN(CCC)C(=O)c1cc(C(N)=O)cc(C(N)=O)c1[C@H](Cc1cccc(OC)n1)[C@@H](O)CNCc1cccc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.57
CTSD P07339 9/20 0.57
BACE2 Q9Y5Z0 1/20 0.47

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
SCHEMBL7613442 0.87 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL3905750 0.86 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL3915537 0.86 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL3905817 0.86 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL3349752 0.86 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL3350763 0.85 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL3912895 0.85 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL3913841 0.85 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL3352764 0.84 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL3357620 0.84 BACE1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed