SCHEMBL6629302

SCHEMBL6629302

CC[C@H]1CCCCN1C[C@H](O)CNS(=O)(=O)c1cc(Cl)sc1Cl

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 15/20 0.63
APP P05067 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5242244 1.00 SLC6A9 (0.63) SLC6A9APPTSHRALDH1A1L3MBTL1
SCHEMBL6629304 0.83 SLC6A9 (0.46) SLC6A9TSHRALDH1A1L3MBTL1
SCHEMBL5243324 0.81 SLC6A9 (0.73) SLC6A9
SCHEMBL5240631 0.81 SLC6A9 (0.73) SLC6A9
SCHEMBL5243328 0.81 SLC6A9 (0.73) SLC6A9
SCHEMBL6629299 0.78 SLC6A9 (0.41) SLC6A9TSHRALDH1A1L3MBTL1
SCHEMBL5242629 0.78 SLC6A9 (0.67) SLC6A9APPALDH1A1
SCHEMBL5240785 0.77 SLC6A9 (0.55) SLC6A9L3MBTL1
SCHEMBL8367106 0.77 SLC6A9 (1.00) SLC6A9
SCHEMBL5286043 0.77 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP claimed
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 claimed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 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