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SCHEMBL16349773

SCHEMBL16349773

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.36
▸ ELANE P08246 2/20 0.32
▸ REN P00797 1/20 0.31
▸ ATM Q13315 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL8035823 1.00 BACE1 (0.36) BACE1ELANERENATMMEN1
SCHEMBL16349593 1.00 BACE1 (0.36) BACE1ELANERENATMMEN1
SCHEMBL8290555 1.00 BACE1 (0.36) BACE1ELANERENATMMEN1
SCHEMBL13685020 1.00 BACE1 (0.36) BACE1ELANERENATMMEN1
SCHEMBL13685083 0.92 BACE1 (0.42) BACE1ELANERENATMMEN1
SCHEMBL13685202 0.91 ELANE (0.33) BACE1ELANE
SCHEMBL13685096 0.91 ELANE (0.33) BACE1ELANE
SCHEMBL13684913 0.88 BACE1 (0.39) BACE1ELANERENATMMEN1
SCHEMBL16349592 0.84 BACE1 (0.33) BACE1
SCHEMBL13685691 0.83 ELANE (0.33) BACE1ELANEREN

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