SCHEMBL13684965

SCHEMBL13684965

CC(C)(C)OC(=O)N[C@H]1CCCCCCCCCC[C@@H](C(=O)C(=O)NCC(=O)NCc2ccccc2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.43
▸ PLG P00747 1/20 0.36
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FAP Q12884 1/20 0.33
▸ REN P00797 3/20 0.33
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPFFR1 Q9GZQ6 1/20 0.32
▸ NPFFR2 Q9Y5X5 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ ANPEP P15144 1/20 0.32
▸ LNPEP Q9UIQ6 1/20 0.32

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
SCHEMBL13685179 1.00 BACE1 (0.43) BACE1PLGKMT2AL3MBTL1FAP
SCHEMBL12607798 1.00 BACE1 (0.43) BACE1PLGKMT2AL3MBTL1FAP
SCHEMBL13685093 0.89 BACE1 (0.51) BACE1PLGREN
SCHEMBL13685129 0.86 BACE1 (0.36) BACE1REN
SCHEMBL13685011 0.86 BACE1 (0.36) BACE1REN
SCHEMBL13686171 0.86 BACE1 (0.36) BACE1REN
SCHEMBL13685100 0.86 F2 (0.33) BACE1PLG
SCHEMBL8289304 0.84 F2 (0.32) BACE1PLGKMT2A
SCHEMBL8034474 0.84 F2 (0.32) BACE1PLGKMT2A
SCHEMBL8290545 0.84 CTSD (0.33) BACE1PLG

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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