SCHEMBL6994052

SCHEMBL6994052

CCOC(=O)c1cc2c(CN(C)C)c(O)ccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 3/20 0.52
CCR2 P41597 10/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
F10 P00742 1/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL6993774 0.87 ABCB11 (0.68) ABCB11CCR2
SCHEMBL6596419 0.86 ABCB11 (0.57) ABCB11CCR2MAPTKDM4EMAPK1
SCHEMBL6308528 0.82 CCR2 (0.53) ABCB11CCR2MAPTKDM4EMAPK1
SCHEMBL6300925 0.79 CCR2 (0.71) CCR2MAPTKDM4EMAPK1NPSR1
SCHEMBL7594730 0.79 NOD2 (0.56) ABCB11CCR2MAPTKDM4EMAPK1
SCHEMBL6595112 0.78 CCR2 (0.59) ABCB11CCR2MAPTKDM4EMAPK1
SCHEMBL6302602 0.77 CCR2 (0.57) CCR2MAPTKDM4EMAPK1NPSR1
SCHEMBL6306975 0.77 CCR2 (0.72) CCR2MAPTKDM4EMAPK1NPSR1
SCHEMBL6596933 0.77 CCR2 (0.57) ABCB11CCR2MAPTKDM4EMAPK1
SCHEMBL6303484 0.77 CCR2 (0.72) ABCB11CCR2MAPTKDM4EMAPK1

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-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
WO-2000046197-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed