SCHEMBL5243245

SCHEMBL5243245

CC[C@H]1CCCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.80
PRKD3 O94806 1/20 0.47
PRKCG P05129 1/20 0.47
PRKCB P05771 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
PRKCA P17252 1/20 0.47
NFKB1 P19838 1/20 0.47
PRKCH P24723 1/20 0.47
PRKCI P41743 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCZ Q05513 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKD1 Q15139 1/20 0.47
LMNA P02545 1/20 0.46
PMP22 Q01453 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
SCHEMBL8367106 0.89 SLC6A9 (1.00) SLC6A9
SCHEMBL5286043 0.89 SLC6A9 (1.00) SLC6A9
SCHEMBL8365090 0.86 SLC6A9 (1.00) SLC6A9
SCHEMBL5243211 0.84 SLC6A9 (0.74) SLC6A9LMNA
SCHEMBL5240631 0.80 SLC6A9 (0.73) SLC6A9
SCHEMBL5243324 0.80 SLC6A9 (0.73) SLC6A9
SCHEMBL5243328 0.80 SLC6A9 (0.73) SLC6A9
SCHEMBL5278409 0.78 SLC6A9 (1.00) SLC6A9
SCHEMBL5242125 0.78 SLC6A9 (1.00) SLC6A9
SCHEMBL5241059 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 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