SCHEMBL7205253

SCHEMBL7205253

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.64
HTR2A P28223 7/20 0.49
HTR2C P28335 6/20 0.49
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7205251 1.00 LSS (0.64) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL7205049 0.94 LSS (0.62) LSSHTR2AHTR2C
SCHEMBL7205048 0.94 LSS (0.62) LSSHTR2AHTR2C
SCHEMBL4804550 0.93 LSS (0.74) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4804540 0.93 LSS (0.74) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4800512 0.92 LSS (0.62) LSSHTR2AHTR2C
SCHEMBL4800506 0.92 LSS (0.62) LSSHTR2AHTR2C
SCHEMBL4806110 0.92 LSS (0.72) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4806121 0.92 LSS (0.72) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4804822 0.90 LSS (0.62) 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