Sugi Predict

Sugi Predict / Compounds / SCHEMBL3371177

SCHEMBL3371177

SCHEMBL3371177

Cc1csc(C[C@H](C)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)NCc2ccncc2)C(C)C)n1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.68
▸ CTSD P07339 1/20 0.68
▸ BACE2 Q9Y5Z0 1/20 0.68

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
SCHEMBL3371184 1.00 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL4911009 0.91 BACE1 (0.83) BACE1CTSDBACE2
SCHEMBL13496333 0.91 BACE1 (0.83) BACE1CTSDBACE2
SCHEMBL3375521 0.90 BACE1 (0.81) BACE1CTSDBACE2
SCHEMBL3375528 0.90 BACE1 (0.81) BACE1CTSDBACE2
SCHEMBL3375545 0.86 BACE1 (0.70) BACE1CTSDBACE2
SCHEMBL3375554 0.86 BACE1 (0.70) BACE1CTSDBACE2
SCHEMBL3372664 0.85 BACE1 (0.69) BACE1CTSDBACE2
SCHEMBL3372654 0.85 BACE1 (0.69) BACE1CTSDBACE2
SCHEMBL4909873 0.85 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