SCHEMBL4670938

SCHEMBL4670938

CN1CC=C(c2c(S(=O)(=O)c3ccc4ccccc4c3)[nH]c3c(F)cc(F)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.43
SLC6A4 P31645 7/20 0.40
HTR1A P08908 6/20 0.40
DRD2 P14416 6/20 0.40
HTR7 P34969 6/20 0.40
HSD11B1 P28845 1/20 0.39
SCN9A Q15858 2/20 0.36

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
SCHEMBL4670811 0.73 HTR6 (0.59) HTR6SLC6A4HTR1ADRD2HTR7
SCHEMBL4673642 0.71 HTR6 (0.73) HTR6
SCHEMBL8208940 0.70 HTR6 (0.46) HTR6HTR1AHTR7HSD11B1
SCHEMBL4673182 0.65 SLC6A4 (0.46) HTR6SLC6A4HTR7
SCHEMBL7483861 0.64 HTR6 (0.66) HTR6SLC6A4
SCHEMBL4676506 0.63 SLC6A4 (0.65) HTR6SLC6A4HTR1A
SCHEMBL4673107 0.62 HTR6 (0.77) HTR6SLC6A4HTR1ADRD2HTR7
SCHEMBL4671257 0.62 HTR6 (0.68) HTR6SLC6A4
SCHEMBL4673300 0.62 HTR6 (0.61) HTR6SLC6A4
SCHEMBL7485051 0.61 HTR6 (0.79) 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