SCHEMBL4676433

SCHEMBL4676433

CN1CC=C(c2cn(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccc(C(F)(F)F)cc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.63
SCN9A Q15858 3/20 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
Hydrochloric Acid SCHEMBL4674835 1.00 HTR6 (0.63) HTR6SCN9A
Hydrochloric Acid SCHEMBL4674531 0.93 HTR6 (0.64) HTR6SCN9A
SCHEMBL4676869 0.93 HTR6 (0.64) HTR6SCN9A
SCHEMBL4676589 0.92 HTR6 (0.74) HTR6
Hydrochloric Acid SCHEMBL4672725 0.92 HTR6 (0.74) HTR6
SCHEMBL4671244 0.91 HTR6 (0.62) HTR6
Hydrochloric Acid SCHEMBL4673582 0.91 HTR6 (0.62) HTR6
SCHEMBL3340708 0.91 HTR6 (0.62) HTR6
SCHEMBL4670759 0.91 HTR6 (0.70) HTR6
Hydrochloric Acid SCHEMBL7483924 0.91 HTR6 (0.75) HTR6

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 claimed
EP-1173432-B1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2007-10-17 EP claimed