SCHEMBL8211652

SCHEMBL8211652

CN1CCCC1Cc1cn(C(=O)c2c(Cl)cccc2Cl)c2ccc(OC3CCCCC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.53
HTR1A P08908 3/20 0.40
HTR1B P28222 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR3 P51677 1/20 0.38
MTNR1A P48039 1/20 0.38
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR1F P30939 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL8211649 1.00 HTR6 (0.53) HTR6HTR1AHTR1BALDH1A1MAPK1
SCHEMBL8209783 0.91 HTR6 (0.52) HTR6HTR1AHTR1BALDH1A1HTR1D
SCHEMBL8209786 0.91 HTR6 (0.52) HTR6HTR1AHTR1BALDH1A1HTR1D
SCHEMBL8213323 0.87 HTR6 (0.55) HTR6HTR1AHTR1BALDH1A1MAPK1
SCHEMBL8213328 0.87 HTR6 (0.55) HTR6HTR1AHTR1BALDH1A1MAPK1
SCHEMBL8209082 0.84 HTR6 (0.55) HTR6HTR1AHTR1BHTR2AHTR2C
SCHEMBL8209078 0.84 HTR6 (0.55) HTR6HTR1AHTR1BHTR2AHTR2C
SCHEMBL8208579 0.84 HTR6 (0.52) HTR6HTR1AHTR1BALDH1A1
SCHEMBL8208584 0.84 HTR6 (0.52) HTR6HTR1AHTR1BALDH1A1
SCHEMBL8201987 0.83 HTR6 (0.51) HTR6HTR1AHTR1BHTR2A

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
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
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed
WO-1999047516-A1 3-(2-PYRROLIDINYLMETHYL)-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY SLASSI ABDELMALIK (CA) 1999-09-23 WO disclosed