SCHEMBL3556416

SCHEMBL3556416

CCc1ccc2c(c1)[C@@H](NC[C@H](O)[C@@H](Cc1ccccc1)c1cc(C(N)=O)cc(C)n1)CC1(CCCC1)O2

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.62
CTSD P07339 13/20 0.62
BACE2 Q9Y5Z0 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
SCHEMBL12619151 0.81 BACE1 (0.72) BACE1CTSDBACE2
SCHEMBL2175749 0.80 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL3556417 0.79 BACE1 (0.72) BACE1CTSDBACE2
SCHEMBL15842005 0.77 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL15842006 0.77 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL15841556 0.77 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL15841557 0.77 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL12942655 0.76 BACE1 (0.80) BACE1CTSDBACE2
SCHEMBL8234264 0.76 BACE1 (0.80) BACE1CTSDBACE2
SCHEMBL15841681 0.76 BACE1 (0.79) BACE1CTSDBACE2

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-7838676-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-11-23 US disclosed