SCHEMBL5680853

SCHEMBL5680853

O=C(O)Oc1cc2cc(O)ccc2n1Cc1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.51
ABCB11 O95342 4/20 0.51
ALOX5AP P20292 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
P2RX3 P56373 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
RIPK3 Q9Y572 1/20 0.36

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
SCHEMBL5679149 0.87 CCR2 (0.54) CCR2ABCB11
SCHEMBL5680850 0.86 CCR2 (0.71) CCR2ABCB11
SCHEMBL5682947 0.82 CCR2 (0.57) CCR2ABCB11
SCHEMBL5680846 0.81 CCR2 (0.54) CCR2ABCB11
SCHEMBL5679342 0.80 CCR2 (0.53) CCR2ABCB11ALOX5AP
SCHEMBL5681505 0.78 CCR2 (0.53) CCR2ABCB11
SCHEMBL5683030 0.78 CCR2 (0.53) CCR2ABCB11
SCHEMBL7076795 0.77 CCR2 (0.71) CCR2ABCB11PPARG
SCHEMBL7072404 0.76 CCR2 (0.67) CCR2ABCB11
SCHEMBL5679203 0.76 CCR2 (0.45) CCR2ABCB11

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 1 patent. 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