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SCHEMBL8176872

SCHEMBL8176872

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NOc2cccc(C(F)(F)F)c2)NC(=O)[C@@H]2CC(OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37

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
SCHEMBL13435931 1.00 CYP3A4 (0.37) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13435833 0.94 ADRB3 (0.37) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL8179866 0.94 ADRB3 (0.38) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL8176868 0.94 ADRB3 (0.40) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL4090587 0.94 ADRB3 (0.38) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL4090588 0.94 ADRB3 (0.38) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13435963 0.94 ADRB3 (0.38) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13435932 0.93 ADRB3 (0.37) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13435827 0.92 ADRB3 (0.38) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13798439 0.92 ADRB3 (0.38) CYP3A4ADRB3ADRA2BADRA2C

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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