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Sugi Predict / Compounds / SCHEMBL7875167

SCHEMBL7875167

SCHEMBL7875167

CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](COc2cccnc2)[C@H](O)CNCC#CC2CC2)cc(NC[C@H]2C[C@@H]2C)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.53
▸ BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL7869781 0.93 BACE1 (0.53) BACE1BACE2
SCHEMBL7876034 0.93 BACE1 (0.55) BACE1BACE2
SCHEMBL7866748 0.90 BACE1 (0.49) BACE1
SCHEMBL7876029 0.89 BACE1 (0.58) BACE1
SCHEMBL7878040 0.89 BACE1 (0.55) BACE1BACE2
SCHEMBL7866750 0.87 BACE1 (0.50) BACE1BACE2
SCHEMBL7875976 0.86 BACE1 (0.53) BACE1BACE2
SCHEMBL7944466 0.86 BACE1 (0.54) BACE1BACE2
SCHEMBL7869235 0.86 BACE1 (0.69) BACE1BACE2
SCHEMBL7878052 0.86 BACE1 (0.52) BACE1

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
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 — — WO disclosed