Sugi Predict

Sugi Predict / Compounds / SCHEMBL3377055

SCHEMBL3377055

SCHEMBL3377055

CC[C@@H](Cn1nc(C)cc1C)C(=O)N[C@@H](CNC(=O)O)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 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.83
▸ CTSD P07339 3/20 0.61
▸ BACE2 Q9Y5Z0 3/20 0.61

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
SCHEMBL3377063 1.00 BACE1 (0.83) BACE1CTSDBACE2
SCHEMBL3375969 0.93 BACE1 (0.84) BACE1CTSDBACE2
SCHEMBL3375963 0.93 BACE1 (0.84) BACE1CTSDBACE2
SCHEMBL3375250 0.92 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL3375254 0.92 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL14271243 0.92 BACE1 (0.87) BACE1CTSDBACE2
SCHEMBL4907965 0.91 BACE1 (0.76) BACE1CTSDBACE2
SCHEMBL13496328 0.91 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL4905079 0.91 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL14271247 0.90 BACE1 (0.87) 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