SCHEMBL6965707

SCHEMBL6965707

CN1CCCC1Cc1cn(C(=O)c2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.49
CHRNB2 P17787 2/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNA5 P30532 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1F P30939 1/20 0.44
HTR7 P34969 1/20 0.44
DYRK1A Q13627 1/20 0.43

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
SCHEMBL6965704 1.00 HTR6 (0.49) HTR6CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL6967984 1.00 HTR6 (0.49) HTR6CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL8209782 0.88 HTR6 (0.64) HTR6CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL8209785 0.88 HTR6 (0.64) HTR6CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL8208580 0.87 HTR6 (0.62) HTR6CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL8208586 0.87 HTR6 (0.62) HTR6CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL1697459 0.86 HTR6 (0.46) HTR6CHRNB2CHRNA7CHRNA4HTR1D
SCHEMBL2180885 0.86 HTR6 (0.46) HTR6CHRNB2CHRNA7CHRNA4HTR1D
SCHEMBL8213328 0.83 HTR6 (0.55) HTR6CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL8213323 0.83 HTR6 (0.55) HTR6CHRNB2CHRNA7CHRNA4CHRNA5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US claimed
WO-1999047516-A1 3-(2-PYRROLIDINYLMETHYL)-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY SLASSI ABDELMALIK (CA) 1999-09-23 WO claimed
CN-1289479-C As 5-HT1D5-ring indole compounds of receptor ligands ALLELIX BIOPHARMA (CA) 2006-12-13 CN disclosed
EP-0944595-B1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-10-01 EP disclosed
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed
US-5998438-A SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1999-12-07 US disclosed
EP-0944595-A1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS Allelix Biopharmaceuticals Inc. (CA) 1999-09-29 EP disclosed
WO-1999047516-A1 3-(2-PYRROLIDINYLMETHYL)-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY SLASSI ABDELMALIK (CA) 1999-09-23 WO disclosed
WO-1998023587-A1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-06-04 WO disclosed