SCHEMBL4675218

SCHEMBL4675218

Cc1cc(C)c(S(=O)(=O)n2c(C3=CCN(C)CC3)cc3cc(F)ccc32)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
SLC6A4 P31645 1/20 0.39
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
ACLY P53396 2/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL4733029 0.82 HTR6 (0.46) HTR6SLC6A4ACLYLMNATHRB
SCHEMBL4670740 0.77 HTR6 (0.67) HTR6L3MBTL1SLC6A4
SCHEMBL4670855 0.68 HTR6 (0.51) HTR6L3MBTL1NPSR1SLC6A4
SCHEMBL4677214 0.68 HTR6 (0.42) HTR6L3MBTL1SLC6A4CHRM1DRD2
SCHEMBL4671281 0.67 HTR6 (0.76) HTR6SLC6A4LMNATHRB
SCHEMBL4674305 0.67 HTR6 (0.82) HTR6SLC6A4
SCHEMBL7499298 0.67 HTR6 (0.47) HTR6
SCHEMBL7485051 0.65 HTR6 (0.79) HTR6SLC6A4
SCHEMBL4673642 0.64 HTR6 (0.73) HTR6
SCHEMBL4671006 0.64 HTR6 (0.73) HTR6SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173432-B9 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2008-10-15 EP disclosed
EP-1173432-B1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2007-10-17 EP disclosed