SCHEMBL3567413

SCHEMBL3567413

CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O)C[C@]1(CCN(C(C)=O)C1)O2

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.79
CTSD P07339 14/20 0.79
BACE2 Q9Y5Z0 2/20 0.61

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
SCHEMBL3591509 1.00 BACE1 (0.79) BACE1CTSDBACE2
SCHEMBL2177200 0.87 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL2174971 0.80 BACE1 (0.87) BACE1CTSDBACE2
SCHEMBL3580454 0.80 BACE1 (0.84) BACE1CTSDBACE2
SCHEMBL2174966 0.80 BACE1 (0.87) BACE1CTSDBACE2
SCHEMBL3580452 0.80 BACE1 (0.84) BACE1CTSDBACE2
SCHEMBL3574018 0.80 BACE1 (0.84) BACE1CTSDBACE2
SCHEMBL3574021 0.80 BACE1 (0.84) BACE1CTSDBACE2
SCHEMBL2175125 0.79 BACE1 (0.88) BACE1CTSDBACE2
SCHEMBL2175129 0.79 BACE1 (0.88) 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-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US claimed