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Sugi Predict / Compounds / SCHEMBL3376586

SCHEMBL3376586

SCHEMBL3376586

COC(=O)N(CCC(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NC(C(=O)NCC(C)C)C(C)C)NC(=O)C(C)Cc1nc(C)cs1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.63
▸ CTSD P07339 3/20 0.63
▸ BACE2 Q9Y5Z0 3/20 0.63

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
SCHEMBL4908150 1.00 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL4906611 0.94 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL3375849 0.93 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL4909224 0.93 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL4912441 0.93 BACE1 (0.70) BACE1CTSDBACE2
SCHEMBL4910537 0.87 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL4908409 0.87 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL3373151 0.86 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL4910217 0.86 BACE1 (0.71) BACE1CTSDBACE2
SCHEMBL3375562 0.86 BACE1 (0.53) 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-7659289-B2 Hydroxyethylene-based β-secretase inhibitors and use thereof COMENTIS, INC. (US) 2010-02-09 — — US claimed