SCHEMBL5679083

SCHEMBL5679083

CCOC(=O)c1cc2cc(O)ccc2n1Cc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.54
ABCB11 O95342 3/20 0.54
NOD2 Q9HC29 1/20 0.52
NOD1 Q9Y239 1/20 0.52
F10 P00742 2/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.43
PTGS2 P35354 1/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43

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 0.90 NOD2 (0.51) CCR2ABCB11NOD2NOD1F10
SCHEMBL6598219 0.87 CCR2 (0.71) CCR2ABCB11NOD2NOD1F10
SCHEMBL5681503 0.86 CCR2 (0.73) CCR2ABCB11F10
SCHEMBL5680974 0.84 CCR2 (0.62) CCR2ABCB11NOD2NOD1F10
SCHEMBL6300699 0.82 CCR2 (0.74) CCR2ABCB11NOD2NOD1F10
SCHEMBL5679166 0.81 CCR2 (0.57) CCR2ABCB11NOD2NOD1F10
SCHEMBL5681505 0.80 CCR2 (0.53) CCR2ABCB11KDM4EAKR1B10AKR1B1
SCHEMBL5679342 0.78 CCR2 (0.53) CCR2ABCB11NOD2NOD1F10
SCHEMBL5679348 0.78 CCR2 (0.60) CCR2ABCB11F10
SCHEMBL6300934 0.77 NOD2 (0.66) CCR2ABCB11NOD2NOD1F10

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