SCHEMBL7009448

SCHEMBL7009448

O=S(=O)(c1ccccc1)n1cc([C@H]2CCN3CCC[C@H]3C2)c2cc(OC3CCCCC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.44
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DRD2 P14416 2/20 0.38

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
SCHEMBL7009446 1.00 HTR6 (0.44) HTR6ALDH1A1KCNH2HRH3DRD2
SCHEMBL2064417 0.78 HTR6 (0.46) HTR6ALDH1A1HRH3DRD2
SCHEMBL4673199 0.76 HTR6 (0.50) HTR6
SCHEMBL7014117 0.73 SLC6A4 (0.56) HTR6ALDH1A1HRH3
SCHEMBL7014120 0.73 SLC6A4 (0.56) HTR6ALDH1A1HRH3
SCHEMBL2065057 0.73 HTR6 (0.46) HTR6ALDH1A1HRH3DRD2
SCHEMBL7486142 0.73 HTR6 (0.66) HTR6DRD2
SCHEMBL8201464 0.73 HTR6 (0.71) HTR6
SCHEMBL8201461 0.73 HTR6 (0.71) HTR6
SCHEMBL2065542 0.72 HTR6 (0.45) HTR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105393-B1 BICYCLIC PIPERIDINE AND PIPERAZINE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY NPS ALLELIX CORP (CA) 2003-10-01 EP claimed
US-6251893-B1 TREATING CENTRAL NERVOUS SYSTEM DISORDERS NPS ALLELIX CORP. (CA) 2001-06-26 US claimed
EP-1105393-A1 BICYCLIC PIPERIDINE AND PIPERAZINE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2001-06-13 EP claimed
WO-1999065906-A1 BICYCLIC PIPERIDINE AND PIPERAZINE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1999-12-23 WO claimed
EP-1105393-B1 BICYCLIC PIPERIDINE AND PIPERAZINE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY NPS ALLELIX CORP (CA) 2003-10-01 EP disclosed
US-6251893-B1 TREATING CENTRAL NERVOUS SYSTEM DISORDERS NPS ALLELIX CORP. (CA) 2001-06-26 US disclosed
EP-1105393-A1 BICYCLIC PIPERIDINE AND PIPERAZINE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2001-06-13 EP disclosed
WO-1999065906-A1 BICYCLIC PIPERIDINE AND PIPERAZINE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1999-12-23 WO disclosed