SCHEMBL5043320

SCHEMBL5043320

N#Cc1cccc(S(N)(=O)=O)c1.NC(=O)c1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)CN2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.54
FNTB P49356 3/20 0.54
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
THRB P10828 1/20 0.41
F10 P00742 2/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
NR1H2 P55055 2/20 0.40
HDAC8 Q9BY41 3/20 0.40
F2 P00734 1/20 0.39
HPN P05981 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
HGFAC Q04756 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
P4HB P07237 1/20 0.39
OPRK1 P41145 1/20 0.38
MTNR1A P48039 1/20 0.38

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
SCHEMBL650942 0.88 FNTA (0.49) FNTAFNTBSIRT1F10NR1H2
SCHEMBL648851 0.84 FNTA (0.71) FNTAFNTBTHRBNR1H2MTNR1A
SCHEMBL653554 0.84 FNTA (0.71) FNTAFNTBTHRBNR1H2MTNR1A
SCHEMBL648852 0.84 FNTA (0.71) FNTAFNTBTHRBNR1H2MTNR1A
SCHEMBL650207 0.83 FNTA (0.61) FNTAFNTBSIRT2SIRT1THRB
SCHEMBL5043322 0.82 THRB (0.40) FNTAFNTBSIRT2SIRT1THRB
SCHEMBL651578 0.82 FNTA (0.62) FNTAFNTBSIRT2SIRT1THRB
SCHEMBL649320 0.81 FNTA (0.51) FNTAFNTBF10NR1H2HDAC8
SCHEMBL651373 0.80 FNTA (0.62) FNTAFNTBTHRBF10
SCHEMBL650165 0.80 FNTA (0.67) FNTAFNTBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644335-A4 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-06-04 EP claimed
EP-1644335-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-04-12 EP claimed
WO-2005007628-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-27 WO claimed