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SCHEMBL5376015

SCHEMBL5376015

CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(CC)c2)cc(S(=O)(=O)NC[C@@H](C)O)c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.78
▸ CTSD P07339 3/20 0.78
▸ BACE2 Q9Y5Z0 3/20 0.68

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
SCHEMBL5369416 1.00 BACE1 (0.78) BACE1CTSDBACE2
SCHEMBL5368895 0.94 BACE1 (0.81) BACE1CTSDBACE2
SCHEMBL5369200 0.92 BACE1 (0.77) BACE1CTSDBACE2
SCHEMBL5383858 0.92 BACE1 (0.76) BACE1CTSDBACE2
SCHEMBL5373863 0.91 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL5426249 0.91 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL5369477 0.91 BACE1 (0.77) BACE1CTSDBACE2
SCHEMBL5388385 0.91 BACE1 (0.77) BACE1CTSDBACE2
SCHEMBL5378115 0.91 BACE1 (0.84) BACE1CTSDBACE2
SCHEMBL3355818 0.90 BACE1 (0.78) 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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US claimed