SCHEMBL3571553

SCHEMBL3571553

CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CN[C@H]1CC2(CCC2)Oc2cc(F)c(Br)cc21

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.68
CTSD P07339 14/20 0.68

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
SCHEMBL3571551 1.00 BACE1 (0.68) BACE1CTSD
SCHEMBL3578920 0.90 CTSD (0.72) BACE1CTSD
SCHEMBL3578922 0.90 CTSD (0.72) BACE1CTSD
SCHEMBL3580762 0.89 BACE1 (0.68) BACE1CTSD
SCHEMBL3571467 0.89 BACE1 (0.75) BACE1CTSD
SCHEMBL3580759 0.89 BACE1 (0.68) BACE1CTSD
SCHEMBL3571469 0.89 BACE1 (0.75) BACE1CTSD
SCHEMBL3570675 0.88 BACE1 (0.70) BACE1CTSD
SCHEMBL3570679 0.88 BACE1 (0.70) BACE1CTSD
SCHEMBL3577391 0.86 BACE1 (0.62) 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
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US claimed