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Sugi Predict / Compounds / SCHEMBL5383729

SCHEMBL5383729

SCHEMBL5383729

CCCC(CCC)S(=O)(=O)CC(N)C(=O)N(C(=O)OCc1ccccc1)[C@@H](Cc1cc(F)cc(F)c1)[C@@H](CNCc1cccc(CC)c1)OC(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.54
▸ CTSB P07858 19/20 0.54
▸ CTSD P07339 1/20 0.39

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
SCHEMBL5375925 0.90 BACE1 (0.41) BACE1CTSBCTSD
SCHEMBL3352491 0.89 BACE1 (0.63) BACE1CTSBCTSD
SCHEMBL5377921 0.87 BACE1 (0.40) BACE1CTSBCTSD
SCHEMBL5388135 0.87 BACE1 (0.41) BACE1CTSBCTSD
SCHEMBL5378082 0.86 BACE1 (0.44) BACE1CTSB
SCHEMBL5375820 0.79 BACE1 (0.49) BACE1CTSBCTSD
SCHEMBL6700817 0.79 BACE1 (0.58) BACE1CTSBCTSD
SCHEMBL5369371 0.79 BACE1 (0.58) BACE1CTSBCTSD
SCHEMBL3357093 0.79 BACE1 (0.62) BACE1CTSBCTSD
SCHEMBL5118076 0.78 CTSB (0.57) BACE1CTSB

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