SCHEMBL5369030

SCHEMBL5369030

CC(C)(C)C(NC1CC1)[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.39
CTSD P07339 16/20 0.38

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
SCHEMBL5377725 0.78 BACE1 (0.41) BACE1CTSD
SCHEMBL6895439 0.78 BACE1 (0.41) BACE1CTSD
SCHEMBL5381675 0.75 BACE1 (0.45) BACE1CTSD
SCHEMBL1521907 0.75 BACE1 (0.38) BACE1CTSD
SCHEMBL3357117 0.75 BACE1 (0.48) BACE1CTSD
SCHEMBL3357121 0.75 BACE1 (0.48) BACE1CTSD
SCHEMBL5375742 0.75 BACE1 (0.48) BACE1CTSD
SCHEMBL5579079 0.72 BACE1 (0.62) BACE1CTSD
SCHEMBL5579001 0.71 BACE1 (0.63) BACE1CTSD
SCHEMBL5474023 0.71 BACE1 (0.47) 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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed