SCHEMBL6965218

SCHEMBL6965218

CN1CCC(c2cn(C(=O)c3ccccc3)c3ccc(C4CCC=CO4)cc23)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.36
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
RORC P51449 1/20 0.34
ALOX5 P09917 1/20 0.34
PDE4B Q07343 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1F P30939 1/20 0.32
HTR7 P34969 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6965222 0.85 HTR6 (0.36) HTR6KDM4EATMRORCALOX5
SCHEMBL6965309 0.79 DYRK1A (0.45) HTR6KDM4EATMRORCALOX5
SCHEMBL6532387 0.79 HTR6 (0.51) HTR6KDM4EATMALOX5ALDH1A1
SCHEMBL6529706 0.79 HTR6 (0.51) HTR6KDM4EATMALOX5ALDH1A1
SCHEMBL6529704 0.79 HTR6 (0.51) HTR6KDM4EATMALOX5ALDH1A1
SCHEMBL6976183 0.77 HTR6 (0.41) HTR6KDM4EALOX5HTR1AHTR1D
SCHEMBL6968081 0.77 HTR6 (0.43) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL6968072 0.77 HTR6 (0.43) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL6968579 0.77 HTR6 (0.43) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL6976877 0.76 HTR6 (0.61) HTR6HTR1AHTR1DHTR1BHTR1F

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 10 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 claimed
EP-0944595-B1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-10-01 EP claimed
CN-1245491-A 5-cyclo indole compounds as 5-HT receptor ligands ALLELIX BIOPHARMA (CA) 2000-02-23 CN claimed
US-5998438-A SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1999-12-07 US 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
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