SCHEMBL6968868

SCHEMBL6968868

O=C(c1ccccc1)n1cc(CCN2CCCC2)c2cc(Br)ccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.50
HTR1A P08908 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR1F P30939 1/20 0.50
HTR7 P34969 1/20 0.50
DYRK1A Q13627 1/20 0.46
ALOX5 P09917 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 2/20 0.42
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ELANE P08246 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL6972524 0.80 HTR6 (0.77) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL6968874 0.79 HTR6 (0.45) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL6965704 0.78 HTR6 (0.49) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL6965707 0.78 HTR6 (0.49) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL6967984 0.78 HTR6 (0.49) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL6976183 0.77 HTR6 (0.41) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL4431649 0.73 HTR6 (0.52) HTR6KCNH2ALDH1A1
SCHEMBL3248439 0.72 HTR6 (0.51) HTR6KMT2AMEN1ALDH1A1
SCHEMBL5233760 0.72 HTR6 (0.85) HTR6
SCHEMBL6965309 0.70 DYRK1A (0.45) HTR6DYRK1AALOX5ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1245491-A 5-cyclo indole compounds as 5-HT receptor ligands ALLELIX BIOPHARMA (CA) 2000-02-23 CN 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-1998023587-A1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-06-04 WO disclosed