SCHEMBL6993774

SCHEMBL6993774

CN(C)Cc1c(O)ccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 4/20 0.68
CCR2 P41597 17/20 0.60

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
SCHEMBL6994052 0.87 ABCB11 (0.52) ABCB11CCR2
SCHEMBL6596985 0.83 ABCB11 (0.78) ABCB11CCR2
SCHEMBL6598022 0.81 ABCB11 (1.00) ABCB11CCR2
SCHEMBL6780988 0.81 ABCB11 (0.75) ABCB11CCR2
SCHEMBL6303492 0.79 CCR2 (0.74) ABCB11CCR2
SCHEMBL6308083 0.78 CCR2 (0.81) ABCB11CCR2
SCHEMBL6300905 0.76 CCR2 (1.00) ABCB11CCR2
SCHEMBL7682986 0.75 ABCB11 (0.71) ABCB11CCR2
SCHEMBL7084558 0.75 CCR2 (0.73) ABCB11CCR2
SCHEMBL6598736 0.73 CCR2 (0.73) ABCB11CCR2

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 2 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