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Sugi Predict / Compounds / SCHEMBL3375562

SCHEMBL3375562

SCHEMBL3375562

Cc1csc(CC(C)C(=O)NN(CCC(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NC(C(=O)NN(C)C)C(C)C)C(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.53
▸ BACE2 Q9Y5Z0 7/20 0.53
▸ CTSD P07339 6/20 0.53

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
SCHEMBL3375849 0.92 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL4909522 0.91 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL3374138 0.87 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL3376586 0.86 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL4908150 0.86 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL3373151 0.85 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL4906611 0.84 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL4912441 0.83 BACE1 (0.70) BACE1BACE2CTSD
SCHEMBL3375554 0.83 BACE1 (0.70) BACE1BACE2CTSD
SCHEMBL3375545 0.83 BACE1 (0.70) BACE1BACE2CTSD

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