SCHEMBL7203919

SCHEMBL7203919

CCCCCNCCCCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.51
HTR2A P28223 8/20 0.49
HTR2C P28335 7/20 0.49
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL7203921 1.00 LSS (0.51) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL7205298 0.98 LSS (0.51) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL7205301 0.98 LSS (0.51) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4804941 0.93 LSS (0.52) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4804944 0.93 LSS (0.52) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4798065 0.91 LSS (0.53) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4798074 0.91 LSS (0.53) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4805711 0.90 LSS (0.53) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4805715 0.90 LSS (0.53) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL7209472 0.89 LSS (0.41) LSSHTR2AHTR2C

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-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed