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SCHEMBL13072074

SCHEMBL13072074

CC1(NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H](Oc4nc5ccccc5o4)C[C@H]2C(=O)N3)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ CYP3A4 P08684 2/20 0.40
▸ CTSB P07858 1/20 0.33

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
SCHEMBL7871462 0.92 ADRB3 (0.48) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7874038 0.91 CYP3A4 (0.49) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7881452 0.90 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7872924 0.90 CTSB (0.43) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13071638 0.85 CYP3A4 (0.37) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13071414 0.85 CYP3A4 (0.38) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7878560 0.85 ADRB3 (0.49) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7873166 0.84 ADRB3 (0.48) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7880592 0.84 ADRB3 (0.48) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7874274 0.84 ADRB3 (0.49) ADRB3ADRA2BADRA2CCYP3A4CTSB

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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