SCHEMBL6968879

SCHEMBL6968879

CC(c1cn(C(=O)c2ccccc2)c2ccc(Br)cc12)C1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
MBTD1 Q05BQ5 1/20 0.39
ELANE P08246 2/20 0.38
HTR6 P50406 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1F P30939 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL8209787 0.88 SLC6A2 (0.40) HTR6SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL8208589 0.88 KMT2A (0.44) HTR6SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL1697462 0.87 PRPS1 (0.35) MBTD1SLC6A2SLC6A4SLC6A3
SCHEMBL8213329 0.83 PTGS1 (0.38) HTR6SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8200926 0.80 KMT2A (0.47) HTR6KDM4EALDH1A1THRBKMT2A
SCHEMBL8208574 0.79 AKR1C3 (0.42) SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL8208559 0.78 KMT2A (0.51) HTR6KDM4EALDH1A1THRBKMT2A
SCHEMBL7470825 0.78 HTR1A (0.38) HTR6SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8201598 0.77 AKR1C3 (0.46) KMT2A
SCHEMBL8209083 0.75 PDE4B (0.38) HTR6SLC6A2SLC6A4SLC6A3ALDH1A1

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 8 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
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