SCHEMBL7204701

SCHEMBL7204701

CCCCCNCCCCC[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.70
HTR2A P28223 7/20 0.52
HTR2C P28335 6/20 0.52
CNR2 P34972 1/20 0.39
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL7204697 1.00 LSS (0.70) LSSHTR2AHTR2CCNR2TBXA2R
SCHEMBL4804576 0.93 LSS (0.72) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4804584 0.93 LSS (0.72) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4796627 0.89 LSS (0.71) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4796628 0.89 LSS (0.71) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL7209665 0.88 LSS (0.82) LSSHTR2AHTR2C
SCHEMBL7209668 0.88 LSS (0.82) LSSHTR2AHTR2C
SCHEMBL4804727 0.88 LSS (0.71) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4804723 0.88 LSS (0.71) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL7211570 0.87 LSS (0.80) 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