SCHEMBL14049377

SCHEMBL14049377

COC(=O)C[C@@H]1CCC=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@@H](O)C[C@H]2C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ NAAA Q02083 4/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ BACE1 P56817 3/20 0.31
▸ MMP1 P03956 2/20 0.30
▸ MMP3 P08254 2/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 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
SCHEMBL14031132 0.86 GAA (0.35) GAAF2F10PRSS1NAAA
SCHEMBL8019153 0.83 GAA (0.35) GAAF2F10PRSS1BACE1
SCHEMBL14049098 0.78 ADRB3 (0.39) PDE4BADRB3ADRA2BADRA2C
SCHEMBL8138362 0.77 ADRB3 (0.42) GAAF2F10PRSS1PDE4B
SCHEMBL7940307 0.77 ADRB3 (0.42) GAAF2F10PRSS1PDE4B
SCHEMBL15487382 0.77 ADRB3 (0.42) GAAF2F10PRSS1PDE4B
SCHEMBL3373243 0.77 ADRB3 (0.42) GAAF2F10PRSS1PDE4B
SCHEMBL3373249 0.77 ADRB3 (0.42) GAAF2F10PRSS1PDE4B
SCHEMBL13784408 0.77 F2 (0.33) GAAF2F10PRSS1NAAA
SCHEMBL20115685 0.76 F2 (0.32) GAAF2F10PRSS1ADRB3

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-7442695-B2 Depeptidized inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-10-28 — — US disclosed
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