SCHEMBL7876013

SCHEMBL7876013

Cc1csc(CN(C)c2cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNCC#CC3CC3)cc(N(C)S(=O)(=O)C(C)C)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.49
BACE2 Q9Y5Z0 3/20 0.46
CTSD P07339 2/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL7874432 0.86 BACE1 (0.43) BACE1CTSD
SCHEMBL7875991 0.85 BACE1 (0.66) BACE1BACE2CTSDAPP
SCHEMBL7876047 0.82 BACE1 (0.51) BACE1BACE2CTSDAPP
SCHEMBL7876045 0.82 BACE1 (0.48) BACE1BACE2CTSDAPP
SCHEMBL7875849 0.81 BACE1 (0.42) BACE1BACE2CTSDAPP
SCHEMBL7874435 0.81 BACE1 (0.57) BACE1BACE2CTSDAPP
SCHEMBL7874460 0.80 BACE1 (0.66) BACE1
SCHEMBL7869235 0.80 BACE1 (0.69) BACE1BACE2
SCHEMBL7880655 0.79 BACE1 (0.62) BACE1BACE2CTSDAPP
SCHEMBL7872319 0.74 BACE1 (0.49) BACE1BACE2CTSDAPP

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