SCHEMBL5679342

SCHEMBL5679342

CCOC(=O)c1cc2cc(O)ccc2n1Cc1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.53
ABCB11 O95342 3/20 0.53
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 1/20 0.51
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
F10 P00742 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
PKM P14618 2/20 0.45
ALOX5AP P20292 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5679166 0.88 CCR2 (0.57) CCR2ABCB11NOD2NOD1MAPT
SCHEMBL5680850 0.87 CCR2 (0.71) CCR2ABCB11F10
SCHEMBL6598219 0.86 CCR2 (0.71) CCR2ABCB11NOD2NOD1MAPT
SCHEMBL5680974 0.85 CCR2 (0.62) CCR2ABCB11NOD2NOD1MAPT
SCHEMBL6300548 0.83 CCR2 (0.60) CCR2ABCB11NOD2NOD1MAPT
SCHEMBL5680853 0.80 CCR2 (0.51) CCR2ABCB11ALOX5AP
SCHEMBL6307749 0.79 CCR2 (0.74) CCR2ABCB11NOD2NOD1MAPT
SCHEMBL5679083 0.78 CCR2 (0.54) CCR2ABCB11NOD2NOD1MAPT
SCHEMBL6300934 0.77 NOD2 (0.66) CCR2ABCB11NOD2NOD1MAPT
SCHEMBL2428965 0.76 MEN1 (0.46) CCR2ABCB11NOD2NOD1MAPT

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-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