SCHEMBL6598219

SCHEMBL6598219

CCOC(=O)c1cc2cc(O)ccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.71
ABCB11 O95342 4/20 0.71
NOD2 Q9HC29 1/20 0.58
NOD1 Q9Y239 1/20 0.58
F10 P00742 1/20 0.53
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL5680974 0.92 CCR2 (0.62) CCR2ABCB11NOD2NOD1F10
SCHEMBL6300934 0.90 NOD2 (0.66) CCR2ABCB11NOD2NOD1F10
SCHEMBL5679166 0.89 CCR2 (0.57) CCR2ABCB11NOD2NOD1F10
SCHEMBL6300560 0.89 NOD2 (0.58) CCR2ABCB11NOD2NOD1F10
SCHEMBL6307761 0.89 NOD2 (0.60) CCR2ABCB11NOD2NOD1F10
SCHEMBL6302592 0.88 NOD2 (0.57) CCR2ABCB11NOD2NOD1F10
SCHEMBL6307920 0.88 CCR2 (0.72) CCR2ABCB11NOD2NOD1F10
SCHEMBL6300663 0.87 NOD2 (0.56) CCR2ABCB11NOD2NOD1F10
SCHEMBL5679083 0.87 CCR2 (0.54) CCR2ABCB11NOD2NOD1F10
SCHEMBL7594730 0.87 NOD2 (0.56) CCR2ABCB11NOD2NOD1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150952-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-10-27 EP disclosed
US-6737435-B1 ANTIINFLAMMATORY AGENTS; MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) DISEASES ASTRAZENECA AB (SE) 2004-05-18 US disclosed
EP-1150953-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
US-6613760-B1 Compounds such as N-(3,4-Dichlorobenzyl)-2-ethoxycarbonyl-indole-4-carboxylic acid, used as inhibitors of monocyte chemoattractant proteins (MCP-1) and RANTES induced chemotaxis; antiinflammatory agents ASTRAZENECA AB (SE) 2003-09-02 US disclosed
EP-1150953-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-11-07 EP disclosed
EP-1150952-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046197-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed
WO-2000046196-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed