SCHEMBL4729029

SCHEMBL4729029

CN1CC=C(c2cn(S(=O)(=O)c3ccccc3F)c3cc(Br)ccc23)CC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.78
HTR1A P08908 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A4 P31645 1/20 0.43

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
SCHEMBL7482977 0.86 HTR6 (0.77) HTR6SLC6A4
SCHEMBL4671073 0.84 HTR6 (0.74) HTR6SLC6A4
SCHEMBL4670755 0.80 HTR6 (0.78) HTR6
SCHEMBL3340516 0.79 HTR6 (0.78) HTR6SLC6A4
SCHEMBL4673495 0.79 HTR6 (0.59) HTR6HTR1ASLC6A4
SCHEMBL4671006 0.75 HTR6 (0.73) HTR6SLC6A4
SCHEMBL4671230 0.75 HTR6 (1.00) HTR6SLC6A4
SCHEMBL3338901 0.74 HTR6 (0.77) HTR6HTR1A
SCHEMBL4673875 0.74 HTR6 (1.00) HTR6HTR1A
SCHEMBL7485051 0.73 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