SCHEMBL7010806

SCHEMBL7010806

Cc1ccc2c(c1)c(C1=CCN3CCC[C@H]3C1)cn2S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.63
ADCY5 O95622 1/20 0.45
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
HTR7 P34969 2/20 0.44
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41

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
SCHEMBL7005652 0.90 HTR6 (0.65) HTR6ADCY5DRD2HTR2AHTR7
SCHEMBL7005654 0.90 HTR6 (0.65) HTR6ADCY5DRD2HTR2AHTR7
SCHEMBL7007926 0.90 HTR6 (0.60) HTR6ADCY5DRD2HTR2AHTR7
SCHEMBL7008522 0.86 HTR6 (0.59) HTR6ADCY5DRD2HTR2AHTR7
SCHEMBL7008647 0.86 HTR6 (0.50) HTR6DRD2HTR2A
SCHEMBL7008649 0.86 HTR6 (0.50) HTR6DRD2HTR2A
SCHEMBL2064304 0.86 HTR6 (0.59) HTR6ADCY5DRD2HTR2AHTR7
SCHEMBL2063618 0.84 HTR6 (0.59) HTR6ADCY5DRD2HTR2AHTR7
SCHEMBL7004980 0.82 HTR6 (0.59) HTR6ADCY5DRD2HTR2AHTR7
SCHEMBL2064302 0.82 HTR6 (0.59) HTR6ADCY5DRD2HTR2AHTR7

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