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SCHEMBL8165109

SCHEMBL8165109

CC(C)OC(=O)NC1CCCCC/C=C\C2CC2(C(=O)NS(=O)(=O)c2ccc(Cl)s2)NC(=O)C2CC(OC(=O)N3Cc4cccc(Cl)c4C3)CN2C1=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CYP3A4 P08684 2/20 0.31

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
SCHEMBL8176697 0.93 ADRB3 (0.36) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL11984154 0.93 ADRB3 (0.36) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL11984155 0.92 ADRB3 (0.34) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13824808 0.89 ADRB3 (0.32) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL11975807 0.89 ADRB3 (0.32) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13818138 0.89 ADRB3 (0.32) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13798238 0.88 CYP3A4 (0.38) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8278159 0.87 ADRB3 (0.38) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3970613 0.87 ADRB3 (0.38) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL4216883 0.87 ADRB3 (0.38) ADRB3ADRA2BADRA2CCYP3A4

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-2008137779-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-13 — — WO disclosed
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