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SCHEMBL7937473

SCHEMBL7937473

CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](COc2cc(F)cc(F)c2)[C@H](O)CN(C)Cc2cccc(C(C)(C)C)c2)cc(NC[C@H]2C[C@@H]2C)n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.56
▸ CTSD P07339 3/20 0.39

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
SCHEMBL7945097 0.91 BACE1 (0.56) BACE1
SCHEMBL7947060 0.91 BACE1 (0.56) BACE1
SCHEMBL7943468 0.86 BACE1 (0.55) BACE1CTSD
SCHEMBL7946201 0.86 BACE1 (0.56) BACE1CTSD
SCHEMBL7946022 0.84 BACE1 (0.64) BACE1
SCHEMBL7945934 0.84 BACE1 (0.56) BACE1
SCHEMBL7944506 0.84 BACE1 (0.56) BACE1
SCHEMBL7943531 0.82 BACE1 (0.63) BACE1
SCHEMBL7937043 0.82 BACE1 (0.57) BACE1
SCHEMBL7937037 0.82 BACE1 (0.54) BACE1CTSD

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