SCHEMBL4722322

SCHEMBL4722322

O=C(NCCC1(CC2CC2)CCC(SCC2CC2)CC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.56
CYP2C9 P11712 1/20 0.51
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3651485 0.90 SLC6A9 (0.70) SLC6A9CYP2C9
SCHEMBL4765759 0.82 SLC6A9 (0.82) SLC6A9CYP2C9
SCHEMBL3537365 0.78 SLC6A9 (0.70) SLC6A9CYP2C9
SCHEMBL3539620 0.77 SLC6A9 (0.46) SLC6A9CYP2C9
SCHEMBL3541212 0.76 SLC6A9 (0.75) SLC6A9CYP2C9
SCHEMBL14686257 0.75 SLC6A9 (0.73) SLC6A9CYP2C9
SCHEMBL3542293 0.74 SLC6A9 (0.72) SLC6A9CYP2C9
SCHEMBL2903008 0.73 SLC6A9 (0.70) SLC6A9CYP2C9
SCHEMBL3540629 0.73 SLC6A9 (0.67) SLC6A9CYP2C9
SCHEMBL2949085 0.73 SLC6A9 (0.67) SLC6A9CYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893566-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LTD. (GB) 2008-03-05 EP claimed
WO-2006131711-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO claimed
EP-1893566-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LTD. (GB) 2008-03-05 EP disclosed
EP-1891002-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA Merck Sharp & Dohme Limited (GB) 2008-02-27 EP disclosed
WO-2006131711-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO disclosed
WO-2006131713-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO disclosed