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Sugi Predict / Compounds / SCHEMBL7943468

SCHEMBL7943468

SCHEMBL7943468

CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](COc2cc(F)cc(F)c2)[C@@H](O)CCNCc2cccc(C(F)(F)F)c2)cc(NCC2C[C@@H]2C)n1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.55
▸ CTSD P07339 3/20 0.40
▸ BACE2 Q9Y5Z0 3/20 0.40

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
SCHEMBL7946201 0.94 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL7942893 0.91 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL7945097 0.91 BACE1 (0.56) BACE1
SCHEMBL7947060 0.91 BACE1 (0.56) BACE1
SCHEMBL7944509 0.89 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL7944506 0.88 BACE1 (0.56) BACE1
SCHEMBL7948681 0.87 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL7947894 0.87 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL7945934 0.87 BACE1 (0.56) BACE1
SCHEMBL7948066 0.86 BACE1 (0.55) 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
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 — — WO disclosed