SCHEMBL904230

SCHEMBL904230

CC(C)(C)[C@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL6874072 0.89 CA2 (0.33)
SCHEMBL12140488 0.84 GHSR (0.30)
SCHEMBL18568141 0.81
SCHEMBL25879356 0.79 CTSV (0.32)
SCHEMBL16349615 0.78
SCHEMBL6876647 0.77 ELANE (0.39)
SCHEMBL6876762 0.75 PEPD (0.39)
SCHEMBL16093490 0.75 HTT (0.35)
SCHEMBL16297917 0.74 ELANE (0.38)
SCHEMBL18567786 0.74 ELANE (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013034047-A1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2012142093-A2 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-10-18 WO disclosed
WO-2012041227-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2011106992-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
WO-2010138791-A1 ANTIVIRAL COMPOUNDS COMPOSED OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2010-12-02 WO disclosed