SCHEMBL6953247

SCHEMBL6953247

COC(=O)c1cc2c(OC(C)=O)cccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.48
NOD1 Q9Y239 4/20 0.40
NOD2 Q9HC29 3/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
MTNR1B P49286 1/20 0.39
ALDH3A1 P30838 1/20 0.39
MAPK1 P28482 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
PTGER3 P43115 1/20 0.36
HTR6 P50406 2/20 0.36
CCR4 P51679 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6960221 0.86 CCR2 (0.51) CCR2NOD1NOD2PTGDR2ALDH3A1
SCHEMBL6963990 0.80 CCR2 (0.74) CCR2NOD1NOD2MTNR1BALDH3A1
SCHEMBL6300567 0.77 CCR2 (0.67) CCR2KMT2A
SCHEMBL10003163 0.77 NOD1 (0.53) NOD1NOD2PTGDR2ALDH1A1TSHR
SCHEMBL6964954 0.75 CCR2 (0.56) CCR2NOD1NOD2
SCHEMBL7516484 0.74 MAPT (0.50) CCR2ALDH1A1TSHR
SCHEMBL6595442 0.74 CCR2 (0.55) CCR2NOD1NOD2ALDH1A1TSHR
SCHEMBL10003206 0.72 NOD1 (0.58) NOD1NOD2PTGDR2ALDH1A1TSHR
SCHEMBL12228582 0.72 PTGDR2 (0.46) CCR2NOD1NOD2PTGDR2MTNR1B
SCHEMBL6308930 0.71 MAPT (0.55) CCR2MTNR1BMAPK1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001935-B1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-10-08 EP disclosed
US-6288103-B1 MONOCYTE CHEMOATTRACTANT PROTEINS ANTAGONIST SUCH AS N-(3-CHLOROPHENYLSULPHONYL)INDOLE-2-CARBOXYLIC ACID; ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2001-09-11 US disclosed
EP-1001935-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 2000-05-24 EP disclosed
WO-1999007678-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 WO disclosed