SCHEMBL5243644

SCHEMBL5243644

NCCCOc1cccc2ccn(S(=O)(=O)c3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.47
HTR1B P28222 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 1/20 0.45
BCHE P06276 2/20 0.45
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1F P30939 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL5243831 0.83 HTR6 (0.56) HTR6HTR1BMEN1ALDH1A1LMNA
SCHEMBL5242040 0.83 HTR6 (0.68) HTR6HTR1BBCHEHTR1D
Hydrochloric Acid SCHEMBL5652927 0.82 HTR6 (0.55) HTR6HTR1BMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5243171 0.82 HTR6 (0.67) HTR6HTR1BBCHEHTR1D
SCHEMBL5243243 0.81 TDP1 (0.46) HTR6TSHRCYP2C19HTR1AHTR7
Hydrochloric Acid SCHEMBL5243005 0.80 TDP1 (0.45) HTR6TSHRCYP2C19HTR1AHTR7
SCHEMBL5243945 0.80 HTR6 (0.71) HTR6HTR1BBCHEHTR1AHTR1D
SCHEMBL931908 0.79 HTR6 (0.62) HTR6MEN1ALDH1A1LMNAHPGD
SCHEMBL20742938 0.75 HTR6 (0.60) HTR6HTR1BMEN1ALDH1A1LMNA
SCHEMBL30184484 0.75 HTR6 (0.60) HTR6HTR1BMEN1ALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569638-B1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-05 EP claimed