SCHEMBL8247208

SCHEMBL8247208

O=C1N[C@]2(C(=O)O)C[C@H]2/C=C\CCOCCCC(=O)N2C[C@H](OC(=O)N3Cc4cccc(F)c4C3)C[C@@H]12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 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
SCHEMBL8243118 0.95 ADRB3 (0.32) ADRB3ADRA2BADRA2C
SCHEMBL8247575 0.88 ADRB3 (0.32) ADRB3ADRA2BADRA2C
SCHEMBL8243119 0.86 ADRB3 (0.33) ADRB3ADRA2BADRA2C
SCHEMBL2215073 0.83 ADRB3 (0.37) ADRB3ADRA2BADRA2C
SCHEMBL2215077 0.83 ADRB3 (0.37) ADRB3ADRA2BADRA2C
SCHEMBL2215075 0.83 ADRB3 (0.37) ADRB3ADRA2BADRA2C
SCHEMBL8293029 0.83 ADRB3 (0.37) ADRB3ADRA2BADRA2C
SCHEMBL3788177 0.83 ADRB3 (0.37) ADRB3ADRA2BADRA2C
SCHEMBL3788172 0.83 ADRB3 (0.37) ADRB3ADRA2BADRA2C
SCHEMBL12730851 0.82 ADRB3 (0.39) ADRB3ADRA2BADRA2C

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-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 — — WO disclosed
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