SCHEMBL6997441

SCHEMBL6997441

CC(C)(C)[Si](C)(C)n1cc(C2=CCN3CCC[C@@H]3C2)c2cc(Br)ccc21

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.36

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
SCHEMBL6997445 1.00 HTR6 (0.36) HTR6
SCHEMBL7008847 0.77 SLC6A4 (0.51) HTR6
SCHEMBL6996253 0.70 SLC6A4 (0.56) HTR6
SCHEMBL6996256 0.70 SLC6A4 (0.56) HTR6
SCHEMBL7006768 0.69 HTR6 (0.40) HTR6
SCHEMBL7007896 0.69 HTR6 (0.51) HTR6
SCHEMBL7007900 0.69 HTR6 (0.51) HTR6
SCHEMBL7010544 0.67 HTR6 (0.44) HTR6
SCHEMBL7012792 0.67 HTR6 (0.44) HTR6
SCHEMBL8385371 0.67 HTR6 (0.42) 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
US-6562809-B1 Contraction of coronary arteries may be mediated by its stimulation of the 5-HT1B (formerly 5-HT1D beta); compounds selective for a 5-HT1D receptor NPS ALLELIX CORP. (CA) 2003-05-13 US disclosed
EP-1114049-B1 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-03-19 EP disclosed
EP-1114049-A1 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS Allelix Corp. (CA) 2001-07-11 EP disclosed
WO-2000017198-A1 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-03-30 WO disclosed