SCHEMBL8165110

SCHEMBL8165110

Cc1cccc2c1CN(C(=O)OC1CC3C(=O)NC4CC4/C=C\CCCCCC(NC(=O)OC(C)(C)C)C(=O)N3C1)C2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ ADRB3 P13945 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 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
SCHEMBL12770115 0.94 DDB1 (0.34) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL13886148 0.93 REN (0.33) ADRB3ADRA2BADRA2C
SCHEMBL8278256 0.93 REN (0.33) ADRB3ADRA2BADRA2C
SCHEMBL8294160 0.89 DRD2 (0.35) ADRB3ADRA2BADRA2C
SCHEMBL13896342 0.87 SCN9A (0.32) ADRB3ADRA2BADRA2C
SCHEMBL5611990 0.83 RAMP1 (0.34) ADRB3ADRA2BADRA2C
SCHEMBL8294626 0.82 MEN1 (0.37) ADRB3ADRA2BADRA2C
SCHEMBL8376931 0.82 ADRB3 (0.37) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL7882981 0.81 ADRB3 (0.37) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL17970111 0.81 ADRB3 (0.44) DDB1CRBNADRB3ADRA2BADRA2C

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-2008137779-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-13 — — WO disclosed
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