SCHEMBL7005648

SCHEMBL7005648

Cc1cccc2c(C3=CCN4CCC[C@H]4C3)cn(S(=O)(=O)c3ccccc3)c12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.45
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 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
SCHEMBL7005647 1.00 HTR6 (0.45) HTR6ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL7008522 0.88 HTR6 (0.59) HTR6
SCHEMBL7008647 0.83 HTR6 (0.50) HTR6L3MBTL1ALOX5
SCHEMBL7008649 0.83 HTR6 (0.50) HTR6L3MBTL1ALOX5
SCHEMBL7009328 0.82 HTR6 (0.43) HTR6ALDH1A1KDM4EGAA
SCHEMBL7009333 0.82 HTR6 (0.43) HTR6ALDH1A1KDM4EGAA
SCHEMBL2065324 0.81 HTR6 (0.45) HTR6ALDH1A1
SCHEMBL7005429 0.79 HTR6 (0.58) HTR6
SCHEMBL7005431 0.79 HTR6 (0.58) HTR6
SCHEMBL7006169 0.79 HTR6 (0.52) 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 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