SCHEMBL7211437

SCHEMBL7211437

CCCCCN(C)CCCCOC1CCC(CN)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
CHRM2 P08172 1/20 0.32
KDM5A P29375 4/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
KDM4C Q9H3R0 2/20 0.31
LSS P48449 1/20 0.31
KDM5C P41229 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
GBA1 P04062 1/20 0.31
NCF1 P14598 1/20 0.31
PHF8 Q9UPP1 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
SCHEMBL7211441 1.00 EPHX2 (0.34) EPHX2CHRM2KDM5AS1PR2S1PR1
SCHEMBL7207709 0.98 CHRM2 (0.35) EPHX2CHRM2KDM5AS1PR2S1PR1
SCHEMBL7207712 0.98 CHRM2 (0.35) EPHX2CHRM2KDM5AS1PR2S1PR1
SCHEMBL7209024 0.98 CHRM2 (0.35) EPHX2CHRM2KDM5AS1PR2S1PR1
SCHEMBL7209027 0.98 CHRM2 (0.35) EPHX2CHRM2KDM5AS1PR2S1PR1
SCHEMBL7210755 0.98 CHRM2 (0.35) EPHX2CHRM2KDM5AS1PR2S1PR1
SCHEMBL7210752 0.98 CHRM2 (0.35) EPHX2CHRM2KDM5AS1PR2S1PR1
SCHEMBL4800942 0.85 CHRM2 (0.34) CHRM2LSS
SCHEMBL4800948 0.85 CHRM2 (0.34) CHRM2LSS
SCHEMBL4803236 0.81 LSS (0.47) 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