SCHEMBL7876045

SCHEMBL7876045

Cc1csc(CN(C)C(=O)c2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNCC#CC3CC3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.48
BACE2 Q9Y5Z0 5/20 0.43
CTSD P07339 4/20 0.42
APP P05067 1/20 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
SCHEMBL7875849 0.92 BACE1 (0.42) BACE1BACE2CTSDAPP
SCHEMBL3509021 0.88 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL4218395 0.88 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL3509403 0.86 BACE1 (0.50) BACE1BACE2CTSD
SCHEMBL3649832 0.85 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL4219216 0.85 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL3649836 0.85 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL4208702 0.85 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL3513455 0.85 BACE1 (0.51) BACE1BACE2CTSD
SCHEMBL4212486 0.85 BACE1 (0.55) BACE1BACE2CTSD

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