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SCHEMBL13435937

SCHEMBL13435937

Cc1ccc(C)c(ONC(=O)[C@@]23C[C@H]2/C=C\CCCCCC(NC(=O)OC(C)(C)C)C(=O)N2CC(OC(=O)N4Cc5cccc(F)c5C4)C[C@H]2C(=O)N3)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ CYP3A4 P08684 2/20 0.36

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
SCHEMBL13798435 1.00 ADRB3 (0.39) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13798425 0.94 ADRB3 (0.39) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8179866 0.93 ADRB3 (0.38) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13435889 0.93 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8183894 0.93 ADRB3 (0.38) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13798439 0.92 ADRB3 (0.38) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13435827 0.92 ADRB3 (0.38) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13435936 0.92 ADRB3 (0.38) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13436022 0.92 DDB1 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL13435963 0.91 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
EP-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 — — EP disclosed
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