SCHEMBL7203719

SCHEMBL7203719

CCN(CCO)CCCCCC1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.71
LMNA P02545 2/20 0.44
CNR2 P34972 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
GBA1 P04062 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL4803161 0.88 LSS (0.71) LSSLMNA
SCHEMBL4803171 0.88 LSS (0.71) LSSLMNA
SCHEMBL5069078 0.85 LSS (0.53) LSSLMNACNR2ALDH1A1MEN1
SCHEMBL6018787 0.84 LSS (0.80) LSS
SCHEMBL6018788 0.84 LSS (0.80) LSS
SCHEMBL6018698 0.83 LSS (0.79) LSS
SCHEMBL6018693 0.83 LSS (0.79) LSS
SCHEMBL4796822 0.83 LSS (1.00) LSS
SCHEMBL4804154 0.83 LSS (1.00) LSS
SCHEMBL4796825 0.83 LSS (1.00) LSS

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