SCHEMBL5240785

SCHEMBL5240785

CC[C@H]1CCCCN1C[C@@H](O)CNS(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.55
HTR6 P50406 8/20 0.46
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CMA1 P23946 2/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
PFKFB3 Q16875 3/20 0.42
PFKFB4 Q16877 3/20 0.42

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
SCHEMBL13508281 0.79 NPSR1 (0.59) HTR6NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL5242244 0.77 SLC6A9 (0.63) SLC6A9L3MBTL1
SCHEMBL6629302 0.77 SLC6A9 (0.63) SLC6A9L3MBTL1
SCHEMBL5240631 0.73 SLC6A9 (0.73) SLC6A9
SCHEMBL5243324 0.73 SLC6A9 (0.73) SLC6A9
SCHEMBL5243328 0.73 SLC6A9 (0.73) SLC6A9
SCHEMBL5243999 0.72 SLC6A9 (0.64) SLC6A9L3MBTL1
SCHEMBL3686019 0.71 NPSR1 (0.58) HTR6NPSR1L3MBTL1CMA1DRD2
SCHEMBL8367106 0.71 SLC6A9 (1.00) SLC6A9
SCHEMBL5286043 0.71 SLC6A9 (1.00) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455777-B1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2007-11-21 EP claimed
EP-1455777-B1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2007-11-21 EP disclosed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 WO disclosed