SCHEMBL8290411

SCHEMBL8290411

C=CCNC(=O)C(=O)[C@@H]1CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.32
▸ BACE1 P56817 2/20 0.31
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ CCR2 P41597 1/20 0.30
▸ PLG P00747 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
SCHEMBL8291498 1.00 GAA (0.32) GAABACE1F2F10PRSS1
SCHEMBL8050876 0.86 BACE1 (0.31) GAABACE1F2F10PRSS1
SCHEMBL8290280 0.86 BACE1 (0.31) GAABACE1F2F10PRSS1
SCHEMBL12606705 0.81 PLG (0.32) PLG
SCHEMBL8289676 0.81 — —
SCHEMBL8289679 0.81 — —
SCHEMBL13685709 0.79 CCR2 (0.33) CCR2PLG
SCHEMBL8289637 0.79 CTSD (0.35) GAA
SCHEMBL13685625 0.79 CTSD (0.35) GAA
SCHEMBL12607874 0.78 ADAM17 (0.37) CCR2

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
WO-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 — — WO disclosed
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