SCHEMBL7206264

SCHEMBL7206264

CCCCCN(C)CCCO[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 7/20 0.35
KDM5A P29375 7/20 0.34
EPHX2 P34913 1/20 0.34
KDM4C Q9H3R0 6/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
HSD11B1 P28845 1/20 0.33
PHF8 Q9UPP1 2/20 0.33
GGPS1 O95749 1/20 0.32
FDPS P14324 1/20 0.32
AGTR1 P30556 1/20 0.32
OPRM1 P35372 1/20 0.32
PDE3A Q14432 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31

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
SCHEMBL7206262 1.00 LSS (0.35) LSSKDM5AEPHX2KDM4CKDM5C
SCHEMBL7204707 0.98 EPHX2 (0.36) LSSKDM5AEPHX2KDM4CKDM5C
SCHEMBL7204704 0.98 EPHX2 (0.36) LSSKDM5AEPHX2KDM4CKDM5C
SCHEMBL7207162 0.96 LSS (0.36) LSSKDM5AEPHX2KDM4CKDM5C
SCHEMBL7207147 0.96 LSS (0.36) LSSKDM5AEPHX2KDM4CKDM5C
SCHEMBL7204746 0.96 LSS (0.36) LSSKDM5AEPHX2KDM4CKDM5C
SCHEMBL7204748 0.96 LSS (0.36) LSSKDM5AEPHX2KDM4CKDM5C
SCHEMBL7209643 0.96 LSS (0.36) LSSKDM5AEPHX2KDM4CKDM5C
SCHEMBL7209647 0.96 LSS (0.36) LSSKDM5AEPHX2KDM4CKDM5C
SCHEMBL7207158 0.84 EPHX2 (0.37) LSSEPHX2HSD11B1

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