SCHEMBL3761302

SCHEMBL3761302

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(F)c3C2)CN1C(=O)[C@@H](Nc1ccc(Br)cc1)C(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL13587835 1.00
SCHEMBL3761295 1.00
SCHEMBL13587833 0.95
SCHEMBL1634609 0.95
SCHEMBL1634611 0.95
SCHEMBL3686423 0.94
SCHEMBL12765147 0.94
SCHEMBL12725928 0.94
SCHEMBL3686422 0.94
SCHEMBL13587832 0.92 CYP3A4 (0.44)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
EP-2185524-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2010-05-19 EP disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 US disclosed
WO-2008141227-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-20 WO disclosed