SCHEMBL7209033

SCHEMBL7209033

CCCCCN(C)CCCCCCCO[C@H]1CC[C@H](NC)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
KDM5A P29375 6/20 0.36
KDM4C Q9H3R0 6/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
GBA1 P04062 1/20 0.33
LSS P48449 1/20 0.33
KDM4A O75164 2/20 0.33
DNM1 Q05193 1/20 0.32

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
SCHEMBL7207720 1.00 EPHX2 (0.41) EPHX2S1PR2S1PR1S1PR3S1PR5
SCHEMBL7207714 1.00 EPHX2 (0.41) EPHX2S1PR2S1PR1S1PR3S1PR5
SCHEMBL7210764 1.00 EPHX2 (0.41) EPHX2S1PR2S1PR1S1PR3S1PR5
SCHEMBL7209031 1.00 EPHX2 (0.41) EPHX2S1PR2S1PR1S1PR3S1PR5
SCHEMBL7210761 1.00 EPHX2 (0.41) EPHX2S1PR2S1PR1S1PR3S1PR5
SCHEMBL7211449 0.98 EPHX2 (0.42) EPHX2S1PR2S1PR1S1PR3S1PR5
SCHEMBL7205082 0.98 EPHX2 (0.42) EPHX2S1PR2S1PR1S1PR3S1PR5
SCHEMBL4800963 0.87 LSS (0.32) EPHX2LSS
SCHEMBL4800954 0.87 LSS (0.32) EPHX2LSS
SCHEMBL7204545 0.82 EPHX2 (0.40) EPHX2S1PR2S1PR1S1PR3S1PR5

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