SCHEMBL6597888

SCHEMBL6597888

O=C(O)c1cc2cc(O)ccc2n1Cc1cnc(Cl)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.71
ABCB11 O95342 3/20 0.71
F10 P00742 1/20 0.53

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
SCHEMBL6599719 0.86 CCR2 (0.70) CCR2ABCB11
SCHEMBL2006351 0.84 CCR2 (0.79) CCR2ABCB11F10
SCHEMBL6592482 0.83 CCR2 (1.00) CCR2ABCB11
SCHEMBL2002926 0.81 CCR2 (0.74) CCR2ABCB11F10
SCHEMBL6597871 0.80 CCR2 (0.80) CCR2ABCB11F10
SCHEMBL5681475 0.80 CCR2 (0.82) CCR2ABCB11F10
SCHEMBL2005378 0.78 CCR2 (0.73) CCR2ABCB11F10
SCHEMBL6597097 0.78 CCR2 (0.80) CCR2ABCB11F10
SCHEMBL7086878 0.78 CCR2 (0.80) CCR2ABCB11F10
SCHEMBL5679145 0.77 CCR2 (0.75) CCR2ABCB11F10

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-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