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SCHEMBL13685696

SCHEMBL13685696

CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H](OC(C)(C)C)C[C@H]2C(=O)N1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.37
▸ BACE1 P56817 3/20 0.37
▸ TERF2 Q15554 4/20 0.33
▸ SCN9A Q15858 3/20 0.31
▸ REN P00797 4/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13685619 0.90 TERF2 (0.40) ELANEBACE1TERF2
SCHEMBL8289686 0.88 ELANE (0.39) ELANEKMT2A
SCHEMBL8291442 0.87 CASP3 (0.36) ELANEBACE1TERF2REN
SCHEMBL13686171 0.85 BACE1 (0.36) ELANEBACE1TERF2SCN9AREN
SCHEMBL13685011 0.85 BACE1 (0.36) ELANEBACE1TERF2SCN9AREN
SCHEMBL13685129 0.85 BACE1 (0.36) ELANEBACE1TERF2SCN9AREN
SCHEMBL12607836 0.82 BACE1 (0.35) ELANEBACE1REN
SCHEMBL13685117 0.82 BACE1 (0.35) ELANEBACE1REN
SCHEMBL8291188 0.82 BACE1 (0.35) ELANEBACE1REN
SCHEMBL8289402 0.82 BACE1 (0.35) ELANEBACE1REN

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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