SCHEMBL5201493

SCHEMBL5201493

CC(C)Sc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(CC=O)cc2F)CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.73
KCNH2 Q12809 4/20 0.51
GPR55 Q9Y2T6 2/20 0.49

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
SCHEMBL4909158 0.90 SLC6A9 (0.85) SLC6A9KCNH2GPR55
SCHEMBL5462433 0.85 SLC6A9 (0.77) SLC6A9GPR55
SCHEMBL4901304 0.85 SLC6A9 (1.00) SLC6A9KCNH2GPR55
SCHEMBL6023463 0.84 SLC6A9 (0.61) SLC6A9KCNH2GPR55
SCHEMBL6011913 0.84 SLC6A9 (0.61) SLC6A9KCNH2GPR55
SCHEMBL6026998 0.84 SLC6A9 (0.73) SLC6A9KCNH2
SCHEMBL4906491 0.80 SLC6A9 (0.67) SLC6A9KCNH2GPR55
SCHEMBL6026824 0.79 SLC6A9 (0.64) SLC6A9KCNH2
SCHEMBL6027426 0.79 SLC6A9 (0.73) SLC6A9KCNH2
SCHEMBL4908726 0.79 SLC6A9 (0.72) SLC6A9KCNH2GPR55

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-1836178-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. Hoffmann-Roche AG (CH) 2007-09-26 EP claimed
WO-2006072435-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO claimed
EP-1836178-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. Hoffmann-Roche AG (CH) 2007-09-26 EP disclosed
WO-2006072435-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed