SCHEMBL8258489

SCHEMBL8258489

CS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ccc(NO)cc3F)CC2)c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.75
SLC6A5 Q9Y345 4/20 0.57
GPR55 Q9Y2T6 1/20 0.53

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
SCHEMBL3920703 0.91 SLC6A9 (0.85) SLC6A9SLC6A5GPR55
SCHEMBL4938236 0.88 SLC6A9 (0.80) SLC6A9SLC6A5GPR55
SCHEMBL3922540 0.86 SLC6A9 (0.80) SLC6A9SLC6A5GPR55
SCHEMBL4936692 0.86 SLC6A9 (0.77) SLC6A9SLC6A5GPR55
SCHEMBL3920445 0.86 SLC6A9 (0.79) SLC6A9SLC6A5GPR55
SCHEMBL3919786 0.85 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL3927742 0.85 SLC6A9 (0.76) SLC6A9SLC6A5GPR55
SCHEMBL3920213 0.85 SLC6A9 (0.82) SLC6A9SLC6A5
SCHEMBL3918531 0.85 SLC6A9 (0.75) SLC6A9SLC6A5GPR55
SCHEMBL4138700 0.84 SLC6A9 (0.71) SLC6A9SLC6A5GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed