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Sugi Predict / Compounds / SCHEMBL3376595

SCHEMBL3376595

SCHEMBL3376595

Cc1csc(C[C@H](C)C(=O)N[C@@H](CNC(=O)O)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCC(C)C)C(C)C)n1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.67
▸ BACE2 Q9Y5Z0 3/20 0.67
▸ CTSD P07339 2/20 0.67

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
SCHEMBL3376592 1.00 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL4906560 0.91 BACE1 (0.82) BACE1BACE2CTSD
SCHEMBL3372664 0.90 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL3372654 0.90 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL3375521 0.89 BACE1 (0.81) BACE1BACE2CTSD
SCHEMBL3375528 0.89 BACE1 (0.81) BACE1BACE2CTSD
SCHEMBL3372619 0.87 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL3372627 0.87 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL3376600 0.85 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL4909873 0.84 BACE1 (0.80) 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