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SCHEMBL13564310

SCHEMBL13564310

CCN(C)S(=O)(=O)NC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N3Cc4ccccc4C3)CC1C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ ADRB3 P13945 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ REN P00797 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ RAMP1 O60894 3/20 0.30
▸ CALCRL Q16602 3/20 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
SCHEMBL11983991 1.00 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CREN
SCHEMBL8278976 0.94 ADRB3 (0.39) CYP3A4ADRB3ADRA2BADRA2CREN
SCHEMBL10019410 0.94 ADRB3 (0.39) CYP3A4ADRB3ADRA2BADRA2CREN
SCHEMBL11984228 0.94 ADRB3 (0.40) CYP3A4ADRB3ADRA2BADRA2CREN
SCHEMBL3974761 0.92 ADRB3 (0.40) CYP3A4ADRB3ADRA2BADRA2CREN
SCHEMBL13610633 0.92 ADRB3 (0.40) CYP3A4ADRB3ADRA2BADRA2CREN
SCHEMBL3974767 0.92 ADRB3 (0.40) CYP3A4ADRB3ADRA2BADRA2CREN
SCHEMBL13059155 0.92 CYP3A4 (0.38) CYP3A4ADRB3ADRA2BADRA2CREN
SCHEMBL3968245 0.91 ADRB3 (0.41) CYP3A4ADRB3ADRA2BADRA2CREN
SCHEMBL8278134 0.91 ADRB3 (0.41) CYP3A4ADRB3ADRA2BADRA2CREN

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
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 — — US disclosed
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