SCHEMBL6471283

SCHEMBL6471283

CCOC(=O)c1cnc(Cc2c(C)[nH]c(=O)c(Cl)c2OCc2ccc(F)cc2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
PTGER1 P34995 4/20 0.37
MAPK14 Q16539 6/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35

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
SCHEMBL6471671 0.91 PTGER1 (0.42) PTGER1MAPK14MAOB
SCHEMBL6473585 0.90 MAPK14 (0.41) PDE3BPDE3APTGER1MAPK14GABRP
SCHEMBL6473806 0.85 MAPK14 (0.37) PTGER1MAPK14GABRA1MAPK11
SCHEMBL6470897 0.83 MAPK14 (0.37) PTGER1MAPK14GABRA5MAPKAPK2MAPK11
SCHEMBL6471998 0.80 MAPK14 (0.43) PTGER1MAPK14MAPK11
SCHEMBL6471970 0.79 MAPK14 (0.44) PTGER1MAPK14MAPK11
SCHEMBL6472398 0.78 MAPK14 (0.43) PTGER1MAPK14
SCHEMBL6471447 0.77 MAPK14 (0.43) MAPK14
SCHEMBL4377468 0.77 MAPK14 (0.43) PDE3BPDE3AMAPK14MAOBMAPK11
SCHEMBL6474519 0.76 MAPK14 (0.46) MAPK14MAPK11

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
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
WO-2005009340-A2 METHOD FOR THE TREATMENT OR PREVENTION OF RESPIRATORY DISORDERS WITH A CYCLOOXYGENASE-2 INHIBITOR IN COMBINATION WITH A MUSCARINIC RECEPTOR ANTAGONIST AND COMPOSITIONS THEREWITH PHARMACIA CORPORATION (US) 2005-02-03 WO disclosed