SCHEMBL12140488

SCHEMBL12140488

CC(C)NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 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
SCHEMBL13684369 0.86
SCHEMBL18568141 0.85
SCHEMBL6874072 0.85 CA2 (0.33)
SCHEMBL16349615 0.85
SCHEMBL904230 0.84 CNR2 (0.31)
SCHEMBL13684446 0.83 CYP2C19 (0.34)
SCHEMBL13684371 0.82 EPHX1 (0.33)
SCHEMBL16093490 0.81 HTT (0.35)
SCHEMBL12404656 0.80 DPP4 (0.31)
SCHEMBL6876386 0.80 MME (0.35)

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
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed