SCHEMBL13784408

SCHEMBL13784408

CCOC(=O)[C@@]1(C)C/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@@H](O)C[C@H]2C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ ADRB3 P13945 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ NAAA Q02083 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
SCHEMBL20115685 0.90 F2 (0.32) F2F10PRSS1GAAADRB3
SCHEMBL14191224 0.86 ADRB3 (0.40) F2F10PRSS1GAAADRB3
SCHEMBL8037005 0.86 ADRB3 (0.40) F2F10PRSS1GAAADRB3
SCHEMBL2133849 0.86 ADRB3 (0.40) F2F10PRSS1GAAADRB3
SCHEMBL8320089 0.86 ADRB3 (0.40) F2F10PRSS1GAAADRB3
SCHEMBL3793642 0.86 ADRB3 (0.40) F2F10PRSS1GAAADRB3
SCHEMBL13646429 0.86 ADRB3 (0.40) F2F10PRSS1GAAADRB3
SCHEMBL13630595 0.86 ADRB3 (0.40) F2F10PRSS1GAAADRB3
SCHEMBL3793643 0.86 ADRB3 (0.40) F2F10PRSS1GAAADRB3
SCHEMBL3669860 0.86 ADRB3 (0.40) F2F10PRSS1GAAADRB3

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-7566719-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-07-28 — — US disclosed
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