SCHEMBL4565634

SCHEMBL4565634

CCn1cc(O)c(=O)cc1CF

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.49
COMT P21964 8/20 0.41
APP P05067 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL8092527 0.84 COMT (0.54) TYRCOMT
SCHEMBL2117671 0.78 TYR (0.43) TYRCOMTAPP
SCHEMBL2115662 0.74 TYR (0.47) TYRCOMTAPPHRH3
SCHEMBL2606805 0.72 TYR (0.46) TYRCOMT
SCHEMBL2606789 0.69 COMT (0.37) TYRCOMTAPPHRH3
SCHEMBL2606803 0.68 COMT (0.36) TYRCOMTAPPHRH3
SCHEMBL11925263 0.68 TYR (0.44) TYRCOMT
SCHEMBL11926716 0.68 TYR (0.49) TYRCOMTAPP
SCHEMBL16882309 0.68 TYR (0.72) TYRCOMT
SCHEMBL11925254 0.67 TYR (0.43) TYRCOMT

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-2134688-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE Apotex Technologies Inc. (CA) 2009-12-23 EP disclosed
WO-2008116301-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC. (CA) 2008-10-02 WO disclosed