SCHEMBL6785303

SCHEMBL6785303

Cc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccc(O)c(F)c12

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 4/20 0.61
CCR2 P41597 17/20 0.51

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
SCHEMBL6595450 0.82 CCR2 (0.50) ABCB11CCR2
SCHEMBL7082978 0.82 AR (0.41) ABCB11CCR2
SCHEMBL8065427 0.79 CCR2 (0.52) ABCB11CCR2
SCHEMBL6598122 0.78 ABCB11 (0.74) ABCB11CCR2
SCHEMBL6598022 0.76 ABCB11 (1.00) ABCB11CCR2
SCHEMBL6307042 0.75 CCR2 (0.77) ABCB11CCR2
SCHEMBL6780182 0.75 ABCB11 (0.66) ABCB11CCR2
SCHEMBL6307041 0.72 CCR2 (0.72) ABCB11CCR2
SCHEMBL23760014 0.71 CCR2 (0.62) ABCB11CCR2
SCHEMBL6599182 0.71 ABCB11 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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