SCHEMBL13685576

SCHEMBL13685576

C=CCNC(=O)C(O)[C@@H]1CCCCCCCN(S(=O)(=O)CC[Si](C)(C)C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.33

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
SCHEMBL13685662 0.92 BACE1 (0.30) BACE1
SCHEMBL13685665 0.90 — —
SCHEMBL13685573 0.89 BACE1 (0.32) BACE1
SCHEMBL8291324 0.87 BACE1 (0.38) BACE1
SCHEMBL8050873 0.87 BACE1 (0.38) BACE1
SCHEMBL13685650 0.86 — —
SCHEMBL13685708 0.85 — —
SCHEMBL8290344 0.84 CTSD (0.41) BACE1
SCHEMBL13685396 0.81 ADAM17 (0.37) BACE1
SCHEMBL8290718 0.80 BACE1 (0.33) BACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
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