SCHEMBL7004980

SCHEMBL7004980

O=S(=O)(c1cccc2ccccc12)n1cc(C2=CCN3CCC[C@H]3C2)c2cc(F)cc(F)c21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.59
ADCY5 O95622 1/20 0.42
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
HTR1A P08908 2/20 0.35
DRD3 P35462 2/20 0.35
CNR1 P21554 1/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL7005654 0.89 HTR6 (0.65) HTR6ADCY5HTR2AHTR1ADRD3
SCHEMBL7005652 0.89 HTR6 (0.65) HTR6ADCY5HTR2AHTR1ADRD3
SCHEMBL7009333 0.87 HTR6 (0.43) HTR6
SCHEMBL7009328 0.87 HTR6 (0.43) HTR6
SCHEMBL7008522 0.85 HTR6 (0.59) HTR6ADCY5HTR2AHTR2CMEN1
SCHEMBL7010806 0.82 HTR6 (0.63) HTR6ADCY5HTR2AHCRTR1HCRTR2
SCHEMBL2064302 0.81 HTR6 (0.59) HTR6ADCY5HTR2AMEN1KMT2A
SCHEMBL4673107 0.80 HTR6 (0.77) HTR6HTR2AHTR1ADRD3DRD2
SCHEMBL7007926 0.80 HTR6 (0.60) HTR6ADCY5HTR2AHTR1ADRD3
SCHEMBL2063618 0.79 HTR6 (0.59) HTR6ADCY5HTR2ADRD2HTR7

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