Sugi Predict

Sugi Predict / Compounds / SCHEMBL3376578

SCHEMBL3376578

SCHEMBL3376578

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

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.86
▸ CTSD P07339 3/20 0.86
▸ BACE2 Q9Y5Z0 3/20 0.86

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
SCHEMBL4908145 1.00 BACE1 (0.86) BACE1CTSDBACE2
SCHEMBL3376583 1.00 BACE1 (0.86) BACE1CTSDBACE2
SCHEMBL4906608 0.93 BACE1 (0.82) BACE1CTSDBACE2
SCHEMBL13496326 0.93 BACE1 (0.82) BACE1CTSDBACE2
SCHEMBL3375528 0.93 BACE1 (0.81) BACE1CTSDBACE2
SCHEMBL3375521 0.93 BACE1 (0.81) BACE1CTSDBACE2
SCHEMBL13496335 0.93 BACE1 (0.79) BACE1CTSDBACE2
SCHEMBL4909213 0.93 BACE1 (0.79) BACE1CTSDBACE2
SCHEMBL4912433 0.92 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL4909873 0.92 BACE1 (0.80) 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