SCHEMBL3556417

SCHEMBL3556417

CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccnc(C)c1)CC1(CCCC1)O2

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.72
CTSD P07339 9/20 0.72
BACE2 Q9Y5Z0 1/20 0.51

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
SCHEMBL3561267 0.90 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL15841679 0.88 BACE1 (0.79) BACE1CTSDBACE2
SCHEMBL15841681 0.88 BACE1 (0.79) BACE1CTSDBACE2
SCHEMBL15841722 0.87 BACE1 (0.68) BACE1CTSD
SCHEMBL15841634 0.87 BACE1 (0.68) BACE1CTSD
SCHEMBL15841721 0.87 BACE1 (0.68) BACE1CTSD
SCHEMBL15841635 0.87 BACE1 (0.68) BACE1CTSD
SCHEMBL15841626 0.86 BACE1 (0.78) BACE1CTSDBACE2
SCHEMBL15841627 0.86 BACE1 (0.78) BACE1CTSDBACE2
SCHEMBL15841717 0.85 BACE1 (0.78) 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