SCHEMBL3761797

SCHEMBL3761797

C=CC1CC1(NC(=O)C1CC(OC(=O)N2Cc3cccc(Cl)c3C2)CN1C(=O)C(C(=O)OC(C)(C)C)C1CCCCC1)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL1635117 1.00 CYP3A4 (0.45) CYP3A4
SCHEMBL1635115 1.00 CYP3A4 (0.45) CYP3A4
SCHEMBL3761800 1.00 CYP3A4 (0.45) CYP3A4
SCHEMBL12726003 0.92 CYP3A4 (0.50) CYP3A4
SCHEMBL3756681 0.91 ADORA3 (0.40) CYP3A4
SCHEMBL3756690 0.91 ADORA3 (0.40) CYP3A4
SCHEMBL12726005 0.90 — —
SCHEMBL12726004 0.88 — —
SCHEMBL8117106 0.84 CFD (0.43) —
SCHEMBL12765750 0.84 ELANE (0.45) CYP3A4

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
EP-2185524-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2010-05-19 — — EP disclosed
WO-2008141227-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-20 — — WO disclosed
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