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Sugi Predict / Compounds / SCHEMBL13071864

SCHEMBL13071864

SCHEMBL13071864

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](Nc1cc(F)cc(C(F)(F)F)c1)C(=O)N1C[C@H](OC(=O)N3CC4C=CC=C(F)C4C3)C[C@H]1C(=O)N2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL8380529 0.86 ADRB3 (0.36) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7873991 0.86 ADRB3 (0.34) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13071865 0.85 ADRB3 (0.33) ADRB3ADRA2BADRA2C
SCHEMBL7868820 0.80 ADRB3 (0.35) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7877267 0.79 ADRB3 (0.35) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7873955 0.77 ADRB3 (0.36) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7875013 0.77 ADRB3 (0.38) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7879457 0.77 ADRB3 (0.35) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7875396 0.76 ADRB3 (0.35) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7877261 0.76 ADRB3 (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 — — WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 — — WO disclosed
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