SCHEMBL7007432

SCHEMBL7007432

O=S(=O)(c1ccccc1Br)n1cc(C2=CCN3CCC[C@H]3C2)c2cc(F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.50
KLK7 P49862 1/20 0.39

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
SCHEMBL7007429 1.00 HTR6 (0.50) HTR6KLK7
SCHEMBL7005652 0.89 HTR6 (0.65) HTR6
SCHEMBL7005654 0.89 HTR6 (0.65) HTR6
SCHEMBL7005431 0.87 HTR6 (0.58) HTR6
SCHEMBL7005429 0.87 HTR6 (0.58) HTR6
SCHEMBL7007896 0.85 HTR6 (0.51) HTR6
SCHEMBL7007900 0.85 HTR6 (0.51) HTR6
SCHEMBL7009126 0.85 HTR6 (0.57) HTR6
SCHEMBL7009122 0.85 HTR6 (0.57) HTR6
SCHEMBL7005955 0.83 HTR6 (0.49) 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 4 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-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