SCHEMBL5241682

SCHEMBL5241682

CNCCOc1cccc2c(S(=O)(=O)c3ccccc3F)c[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.47
HTR1B P28222 2/20 0.45
HTR1D P28221 1/20 0.45
SLC6A4 P31645 2/20 0.41
HRH1 P35367 1/20 0.41
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
NR3C1 P04150 3/20 0.36
PGR P06401 2/20 0.36
NR3C2 P08235 2/20 0.36
AR P10275 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MET P08581 1/20 0.35
GPR84 Q9NQS5 1/20 0.34

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
Hydrochloric Acid SCHEMBL5242925 0.99 HTR6 (0.46) HTR6HTR1BHTR1DSLC6A4HRH1
SCHEMBL5241679 0.86 HTR6 (0.50) HTR6HTR1BSLC6A4KDM4EHTR2A
SCHEMBL5241872 0.85 HTR6 (0.54) HTR6HTR1BHTR1DSLC6A4HRH1
Hydrochloric Acid SCHEMBL5243564 0.85 HTR6 (0.49) HTR6HTR1BSLC6A4KDM4EHTR2A
SCHEMBL5240623 0.85 HTR6 (0.47) HTR6HTR1BHTR1DKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5243162 0.84 HTR6 (0.53) HTR6HTR1BHTR1DSLC6A4HRH1
SCHEMBL5240551 0.80 HTR6 (0.72) HTR6KDM4EALDH1A1TDP1KMT2A
SCHEMBL5241030 0.80 HTR6 (0.44) HTR6HTR2ARAB9AMETGPR84
Hydrochloric Acid SCHEMBL5244077 0.79 HTR6 (0.71) HTR6KDM4EALDH1A1TDP1KMT2A
SCHEMBL5242280 0.78 HTR6 (0.41) HTR6KDM4EALDH1A1

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