SCHEMBL8283069

SCHEMBL8283069

CC(C)(C)Cc1cccc(C2(NC[C@@H](O)C(Cc3cc(F)cc(F)c3)NCC(F)(F)F)CCCCC2)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.75
CTSD P07339 6/20 0.75

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
SCHEMBL12976525 1.00 BACE1 (0.75) BACE1CTSD
SCHEMBL2874646 1.00 BACE1 (0.75) BACE1CTSD
SCHEMBL2874702 0.90 BACE1 (0.77) BACE1CTSD
SCHEMBL2875103 0.90 BACE1 (0.75) BACE1CTSD
SCHEMBL8281564 0.86 BACE1 (0.84) BACE1CTSD
SCHEMBL3181724 0.86 BACE1 (1.00) BACE1CTSD
SCHEMBL3181718 0.86 BACE1 (1.00) BACE1CTSD
SCHEMBL8281569 0.84 BACE1 (0.73) BACE1CTSD
SCHEMBL4698379 0.83 BACE1 (0.95) BACE1CTSD
SCHEMBL5060923 0.83 BACE1 (0.81) 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-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed