SCHEMBL6595112

SCHEMBL6595112

CCOC(=O)c1cc2c(Cl)c(OC)ccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.59
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ABCB11 O95342 2/20 0.48
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
F10 P00742 1/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 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
SCHEMBL7839309 0.98 CCR2 (0.57) CCR2MAPTTDP1KDM4EMAPK1
SCHEMBL6308528 0.90 CCR2 (0.53) CCR2MAPTTDP1KDM4EMAPK1
SCHEMBL7086770 0.88 ABCB11 (0.48) CCR2MAPTTDP1KDM4EMAPK1
SCHEMBL6596419 0.87 ABCB11 (0.57) CCR2MAPTTDP1KDM4EMAPK1
SCHEMBL7086627 0.85 CCR2 (0.51) CCR2MAPTTDP1KDM4EMAPK1
SCHEMBL6300925 0.83 CCR2 (0.71) CCR2MAPTTDP1KDM4EMAPK1
SCHEMBL7082918 0.82 CCR2 (0.55) CCR2MAPTTDP1KDM4EMAPK1
SCHEMBL6783152 0.82 ABCB11 (0.49) CCR2MAPTTDP1KDM4EMAPK1
SCHEMBL6594667 0.81 CCR2 (0.61) CCR2MAPTABCB11
SCHEMBL6596933 0.80 CCR2 (0.57) CCR2MAPTTDP1KDM4EMAPK1

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-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-1150952-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046196-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed