SCHEMBL6598022

SCHEMBL6598022

O=C(O)c1cc2c(F)c(O)ccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 3/20 1.00
CCR2 P41597 18/20 0.69

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
SCHEMBL6596985 0.88 ABCB11 (0.78) ABCB11CCR2
SCHEMBL7087122 0.88 ABCB11 (0.78) ABCB11CCR2
SCHEMBL6785298 0.86 ABCB11 (0.76) ABCB11CCR2
SCHEMBL6780988 0.86 ABCB11 (0.75) ABCB11CCR2
SCHEMBL6303492 0.84 CCR2 (0.74) ABCB11CCR2
SCHEMBL6308083 0.83 CCR2 (0.81) ABCB11CCR2
SCHEMBL6300727 0.82 CCR2 (1.00) ABCB11CCR2
SCHEMBL6993774 0.81 ABCB11 (0.68) ABCB11CCR2
SCHEMBL6597658 0.81 ABCB11 (0.67) ABCB11CCR2
SCHEMBL7087035 0.81 ABCB11 (0.67) 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 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