SCHEMBL6965309

SCHEMBL6965309

CN1CCC(c2cn(C(=O)c3ccccc3)c3ccc(Br)cc23)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
HTR6 P50406 8/20 0.44
HRH2 P25021 1/20 0.42
ELANE P08246 2/20 0.40
ALOX5 P09917 1/20 0.39
RORC P51449 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6532387 0.87 HTR6 (0.51) HTR6ALOX5KDM4EATM
SCHEMBL6529706 0.87 HTR6 (0.51) HTR6ALOX5KDM4EATM
SCHEMBL6529704 0.87 HTR6 (0.51) HTR6ALOX5KDM4EATM
SCHEMBL7479507 0.81 KCNH2 (0.44) HTR6ALOX5RORC
SCHEMBL7482377 0.81 HTR6 (0.48) HTR6HRH2RORC
SCHEMBL6965222 0.80 HTR6 (0.36) HTR6ALOX5RORCKDM4EATM
SCHEMBL7491511 0.79 HTR6 (0.53) HTR6HRH2ALOX5KDM4E
SCHEMBL6965218 0.79 HTR6 (0.36) HTR6ALOX5RORCKDM4EATM
SCHEMBL6977564 0.74 ESRRG (0.33) HTR6ALOX5RORCKDM4E
SCHEMBL7491819 0.74 HTR6 (0.43) HTR6HRH2

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