SCHEMBL5679348

SCHEMBL5679348

Cc1ccc(Cn2c(C(=O)O)cc3cc(O)ccc32)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.60
ABCB11 O95342 3/20 0.60
F10 P00742 1/20 0.53
GPR35 Q9HC97 1/20 0.49

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
SCHEMBL5683295 0.88 NOD2 (0.51) CCR2ABCB11F10
SCHEMBL5681503 0.87 CCR2 (0.73) CCR2ABCB11F10
SCHEMBL5681979 0.85 CCR2 (0.43) CCR2ABCB11F10
SCHEMBL5679174 0.82 CCR2 (0.65) CCR2ABCB11F10GPR35
SCHEMBL5681475 0.82 CCR2 (0.82) CCR2ABCB11F10GPR35
SCHEMBL5679083 0.78 CCR2 (0.54) CCR2ABCB11F10
SCHEMBL2006351 0.76 CCR2 (0.79) CCR2ABCB11F10GPR35
SCHEMBL2002926 0.76 CCR2 (0.74) CCR2ABCB11F10GPR35
SCHEMBL6592482 0.76 CCR2 (1.00) CCR2ABCB11
SCHEMBL2005378 0.75 CCR2 (0.73) CCR2ABCB11F10GPR35

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268423-B1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-01 EP claimed
US-6984657-B1 Indole derivatives as MCP-1 receptor antagonists ASTRAZENECA AB (SE) 2006-01-10 US claimed
CN-1395564-A Indole derivatives as MCP-1 receptor antagonists ASTRAZENECA AB (SE) 2003-02-05 CN claimed
EP-1268423-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2003-01-02 EP claimed
WO-2001051467-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 WO claimed
EP-1268423-B1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-01 EP disclosed
US-6984657-B1 Indole derivatives as MCP-1 receptor antagonists ASTRAZENECA AB (SE) 2006-01-10 US disclosed
CN-1395564-A Indole derivatives as MCP-1 receptor antagonists ASTRAZENECA AB (SE) 2003-02-05 CN disclosed