SCHEMBL2197399

SCHEMBL2197399

Cc1ccc(OCCN2CCOCC2)cc1C(=O)c1cccc(Nc2ccc(F)cc2F)c1N

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.56
EPHX2 P34913 3/20 0.52
SYK P43405 2/20 0.45
HRH3 Q9Y5N1 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
SCHEMBL2200292 0.87 MAPK14 (0.60) MAPK14EPHX2HRH3
SCHEMBL12164732 0.83 MAPK14 (0.59) MAPK14EPHX2HRH3
SCHEMBL2196902 0.81 MAPK14 (0.60) MAPK14EPHX2
SCHEMBL2203135 0.81 MAPK14 (0.57) MAPK14EPHX2HRH3
SCHEMBL2197405 0.80 MAPK14 (0.53) MAPK14EPHX2SYKHRH3
SCHEMBL1964677 0.77 MAPK14 (0.49) MAPK14EPHX2
SCHEMBL15163136 0.77 MAPK14 (0.50) MAPK14EPHX2
SCHEMBL2201701 0.76 MAPK14 (0.57) MAPK14EPHX2
SCHEMBL1964681 0.75 PPARG (0.47) MAPK14EPHX2
SCHEMBL5751039 0.73 MAPK14 (0.61) MAPK14EPHX2HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed