SCHEMBL7209669

SCHEMBL7209669

CCCCCN(C)CCCCCC1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.58
LMNA P02545 2/20 0.51
CNR2 P34972 3/20 0.47
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
GBA1 P04062 1/20 0.42

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
SCHEMBL7211573 0.99 LSS (0.57) LSSLMNACNR2ALDH1A1THRB
SCHEMBL7205051 0.88 LSS (0.46) LSSLMNACNR2ALDH1A1THRB
SCHEMBL7204703 0.87 CNR2 (0.53) LSSLMNACNR2ALDH1A1THRB
SCHEMBL7210252 0.87 LSS (0.45) LSSLMNACNR2ALDH1A1THRB
SCHEMBL7209665 0.83 LSS (0.82) LSS
SCHEMBL7209668 0.83 LSS (0.82) LSS
SCHEMBL7203719 0.83 LSS (0.71) LSSLMNACNR2ALDH1A1THRB
SCHEMBL7211566 0.82 LSS (0.80) LSS
SCHEMBL7211570 0.82 LSS (0.80) LSS
SCHEMBL5092120 0.80 LSS (0.46) LSSLMNACNR2ALDH1A1KMT2A

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 4 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 claimed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO claimed
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