SCHEMBL129892

SCHEMBL129892

Cc1cc(S(=O)(=O)CCOc2cnc(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)Cc3cc(C(F)(F)F)ccc3OCc3ccccc3)nc2)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
PTGER1 P34995 3/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
AR P10275 1/20 0.35
PTPN1 P18031 1/20 0.34
SLC1A5 Q15758 1/20 0.34
SLC6A9 P48067 1/20 0.34
RORC P51449 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL130526 0.87 CETP (0.39) CETPPTGER1ARSLC1A5SLC6A9
SCHEMBL130971 0.83 CETP (0.52) CETP
SCHEMBL1588216 0.79 HTR2C (0.39) CETPPTGER1SLC1A5HTR2CSLC6A4
SCHEMBL130203 0.79 CETP (0.45) CETPPTGER1PTPN1SLC1A5HTR2C
SCHEMBL1587844 0.78 SLC6A4 (0.43) CETPPTGER1SLC1A5HTR2CSLC6A4
SCHEMBL1588309 0.78 CETP (0.44) CETPPTGDR2PTGER1
SCHEMBL132562 0.75 CETP (0.40) CETP
SCHEMBL4510002 0.73 NR3C1 (0.37) CETP
SCHEMBL129204 0.73 CETP (0.39) CETP
SCHEMBL12062624 0.70 CETP (0.57) CETP

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
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed