SCHEMBL6972524

SCHEMBL6972524

CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.77
HTR7 P34969 6/20 0.77
HTR1A P08908 4/20 0.77
HTR1D P28221 4/20 0.77
HTR1B P28222 4/20 0.77
HTR1F P30939 4/20 0.77
DYRK1A Q13627 1/20 0.47
ELANE P08246 2/20 0.43
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTR1E P28566 1/20 0.42

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
SCHEMBL7443507 0.87 HTR6 (1.00) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5767433 0.86 HTR6 (0.58) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL24877919 0.85 HTR6 (0.76) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL30485872 0.85 HTR6 (0.76) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5497004 0.84 HTR6 (1.00) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL30485865 0.84 HTR6 (1.00) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL6820240 0.81 HTR6 (0.52) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL7429747 0.81 HTR6 (0.77) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL6968868 0.80 HTR6 (0.50) HTR6HTR7HTR1AHTR1DHTR1B
Oxalic Acid SCHEMBL9597834 0.78 HTR6 (0.64) HTR6HTR7HTR1AHTR1DHTR1B

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-0944595-B1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-10-01 EP 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