SCHEMBL1851968

SCHEMBL1851968

CC(C)C(=O)N1CCCC1c1nc2cc(C#Cc3ccc4[nH]c(C5CCCN5C(=O)C(C)C)nc4c3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.47
HCRTR1 O43613 5/20 0.44
HCRTR2 O43614 5/20 0.44

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
SCHEMBL2777598 1.00 PRCP (0.47) PRCPHCRTR1HCRTR2
SCHEMBL15987143 0.89 CYP3A4 (0.49)
SCHEMBL2777214 0.88 PRCP (0.53) PRCPHCRTR1HCRTR2
SCHEMBL2777216 0.88 PRCP (0.53) PRCPHCRTR1HCRTR2
SCHEMBL12798462 0.88 PRCP (0.53) PRCPHCRTR1HCRTR2
SCHEMBL12422931 0.86 PRCP (0.49) PRCP
SCHEMBL15045706 0.86 PRCP (0.49) PRCP
SCHEMBL12422921 0.86 PRCP (0.49) PRCP
SCHEMBL12422920 0.86 PRCP (0.49) PRCP
SCHEMBL2780474 0.86 PRCP (0.42) PRCPHCRTR1HCRTR2

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-2318376-A1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-05-11 EP claimed
WO-2010017401-A1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-11 WO claimed