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SCHEMBL7876012

SCHEMBL7876012

CN(c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCC#CC2CC2)cc(NCC2CC2)n1)S(=O)(=O)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.48
▸ APP P05067 1/20 0.42

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
SCHEMBL7874435 0.92 BACE1 (0.57) BACE1APP
SCHEMBL7872319 0.85 BACE1 (0.49) BACE1APP
SCHEMBL7869235 0.85 BACE1 (0.69) BACE1
SCHEMBL7880655 0.84 BACE1 (0.62) BACE1APP
SCHEMBL7866750 0.83 BACE1 (0.50) BACE1
SCHEMBL7875865 0.82 BACE1 (0.46) BACE1
SCHEMBL7876047 0.82 BACE1 (0.51) BACE1APP
SCHEMBL25916048 0.81 BACE1 (0.56) BACE1APP
SCHEMBL7874419 0.78 BACE1 (0.70) BACE1
SCHEMBL7869312 0.78 BACE1 (0.57) BACE1APP

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