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SCHEMBL13685755

SCHEMBL13685755

CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCC(=O)N2CCCC(C2)[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 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
SCHEMBL13685770 1.00 ELANE (0.33) ELANE
SCHEMBL13685618 0.91 ELANE (0.35) ELANE
SCHEMBL13685700 0.90 ELANE (0.32) ELANE
SCHEMBL13685796 0.90 ELANE (0.32) ELANE
SCHEMBL13685011 0.88 BACE1 (0.36) ELANE
SCHEMBL13686171 0.88 BACE1 (0.36) ELANE
SCHEMBL13685129 0.88 BACE1 (0.36) ELANE
SCHEMBL13685731 0.88 ELANE (0.33) ELANE
SCHEMBL13685736 0.88 ELANE (0.33) ELANE
SCHEMBL13685096 0.86 ELANE (0.33) ELANE

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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