SCHEMBL5683295

SCHEMBL5683295

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 1/20 0.51
F10 P00742 4/20 0.46
CCR2 P41597 5/20 0.46
ABCB11 O95342 2/20 0.46
MAPT P10636 6/20 0.42
KDM4E B2RXH2 3/20 0.42
PKM P14618 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS2 P35354 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5679083 0.90 CCR2 (0.54) NOD2NOD1F10CCR2ABCB11
SCHEMBL5679348 0.88 CCR2 (0.60) F10CCR2ABCB11
SCHEMBL5680974 0.83 CCR2 (0.62) NOD2NOD1F10CCR2ABCB11
SCHEMBL5681979 0.82 CCR2 (0.43) F10CCR2ABCB11MAPTNPSR1
SCHEMBL4914689 0.82 NOD2 (0.40) NOD2NOD1MAPTKDM4EPKM
SCHEMBL6598219 0.80 CCR2 (0.71) NOD2NOD1F10CCR2ABCB11
SCHEMBL5679166 0.77 CCR2 (0.57) NOD2NOD1F10CCR2ABCB11
SCHEMBL6300699 0.76 CCR2 (0.74) NOD2NOD1F10CCR2ABCB11
SCHEMBL8481856 0.76 NOD2 (0.55) NOD2NOD1F10CCR2MAPT
SCHEMBL5681503 0.75 CCR2 (0.73) F10CCR2ABCB11

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-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
EP-1268423-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2003-01-02 EP disclosed
WO-2001051467-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 WO disclosed