SCHEMBL7872319

SCHEMBL7872319

CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2cccnc2)[C@H](O)CNCC#CC2CC2)cc(NCC2CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.49
BACE2 Q9Y5Z0 2/20 0.42
APP P05067 1/20 0.37
CTSD P07339 1/20 0.37

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 0.93 BACE1 (0.57) BACE1BACE2APPCTSD
SCHEMBL7875865 0.87 BACE1 (0.46) BACE1BACE2
SCHEMBL7869235 0.85 BACE1 (0.69) BACE1BACE2
SCHEMBL7876012 0.85 BACE1 (0.48) BACE1APP
SCHEMBL7880655 0.85 BACE1 (0.62) BACE1BACE2APPCTSD
SCHEMBL7866750 0.85 BACE1 (0.50) BACE1BACE2
SCHEMBL7875167 0.84 BACE1 (0.53) BACE1BACE2
SCHEMBL7876047 0.82 BACE1 (0.51) BACE1BACE2APPCTSD
SCHEMBL7869781 0.79 BACE1 (0.53) BACE1BACE2
SCHEMBL7874419 0.78 BACE1 (0.70) BACE1BACE2

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