SCHEMBL7208523

SCHEMBL7208523

CCCCCN(C)CCCCOC1CCC(N(C)S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.51
HTR2C P28335 5/20 0.51
LSS P48449 8/20 0.47
HTR1A P08908 3/20 0.43
DRD2 P14416 3/20 0.43
HTR7 P34969 3/20 0.43
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL7208527 1.00 HTR2A (0.51) HTR2AHTR2CLSSHTR1ADRD2
SCHEMBL7210829 0.89 HTR2A (0.50) HTR2AHTR2CLSSL3MBTL1
SCHEMBL7205789 0.89 HTR2A (0.51) HTR2AHTR2CLSSL3MBTL1CNR2
SCHEMBL7205786 0.89 HTR2A (0.51) HTR2AHTR2CLSSL3MBTL1CNR2
SCHEMBL7210826 0.89 HTR2A (0.50) HTR2AHTR2CLSSL3MBTL1
SCHEMBL7206982 0.89 HTR2A (0.49) HTR2AHTR2CLSSHTR1ADRD2
SCHEMBL7206987 0.89 HTR2A (0.49) HTR2AHTR2CLSSHTR1ADRD2
SCHEMBL7205049 0.89 LSS (0.62) HTR2AHTR2CLSSL3MBTL1
SCHEMBL7205048 0.89 LSS (0.62) HTR2AHTR2CLSSL3MBTL1
SCHEMBL7210651 0.88 HTR2A (0.49) HTR2AHTR2CLSSL3MBTL1

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