SCHEMBL5224233

SCHEMBL5224233

Cc1csc(COC(=O)NCC(NCC(C)Cc2nc(C)cs2)C(=O)NC(CC(C)C)C(O)CC(C)C(=O)NC(C(=O)NCC(C)C)C(C)C)n1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.70
CTSD P07339 3/20 0.70
BACE2 Q9Y5Z0 3/20 0.70

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
SCHEMBL13496326 0.92 BACE1 (0.82) BACE1CTSDBACE2
SCHEMBL4906608 0.92 BACE1 (0.82) BACE1CTSDBACE2
SCHEMBL14184576 0.88 BACE1 (0.71) BACE1CTSDBACE2
SCHEMBL13496324 0.88 BACE1 (0.71) BACE1CTSDBACE2
SCHEMBL4901919 0.87 BACE1 (0.69) BACE1CTSDBACE2
SCHEMBL13496329 0.85 BACE1 (0.84) BACE1CTSDBACE2
SCHEMBL14184574 0.85 BACE1 (0.84) BACE1CTSDBACE2
SCHEMBL5225346 0.85 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL14271257 0.85 BACE1 (0.72) BACE1CTSDBACE2
SCHEMBL13496337 0.85 BACE1 (0.63) 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-1799660-A2 AMINO-CONTAINING COMPOUNDS WHICH INHIBIT MEMAPSIN 2 BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2007-06-27 EP disclosed
WO-2006034296-A2 AMINO-CONTAINING COMPOUNDS WHICH INHIBIT MEMAPSIN 2 BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2006-03-30 WO disclosed