SCHEMBL7209420

SCHEMBL7209420

CCCCCN(C)CCCCOC1CCC(N(C)C(=O)Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 13/20 0.58
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
ACHE P22303 2/20 0.38
MCHR1 Q99705 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SLC6A5 Q9Y345 1/20 0.35
SLC6A9 P48067 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
SCHEMBL7209424 1.00 LSS (0.58) LSSLIPCLIPGACHEMCHR1
SCHEMBL4806921 0.96 LSS (0.58) LSSLIPCLIPGACHEMCHR1
SCHEMBL4806926 0.96 LSS (0.58) LSSLIPCLIPGACHEMCHR1
SCHEMBL4799874 0.90 LSS (0.57) LSSLIPCLIPGMCHR1SLC6A5
SCHEMBL4799882 0.90 LSS (0.57) LSSLIPCLIPGMCHR1SLC6A5
SCHEMBL7205863 0.89 LSS (0.49) LSSACHE
SCHEMBL7205855 0.89 LSS (0.49) LSSACHE
SCHEMBL4804327 0.89 LSS (0.55) LSSLIPCLIPG
SCHEMBL4804320 0.89 LSS (0.55) LSSLIPCLIPG
SCHEMBL7210770 0.89 LSS (0.50) LSSACHE

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