SCHEMBL27754352

SCHEMBL27754352

[CH2][C@H](c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.66
HTR1B P28222 6/20 0.66
HTR1D P28221 5/20 0.66
HTR1A P08908 2/20 0.65
CHRM2 P08172 1/20 0.65
ADRA2A P08913 1/20 0.65
CHRM1 P11229 1/20 0.65
DRD1 P21728 1/20 0.65
SLC6A2 P23975 1/20 0.65
OPRM1 P35372 1/20 0.65
SLC6A3 Q01959 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR1F P30939 1/20 0.56
HTR7 P34969 1/20 0.56
DRD3 P35462 1/20 0.56

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
SCHEMBL977505 1.00 HTR6 (0.66) HTR6HTR1BHTR1DHTR1ACHRM2
SCHEMBL8789709 0.90 HTR1B (0.70) HTR6HTR1BHTR1DHTR1ACHRM2
SCHEMBL8506717 0.80 HTR1B (1.00) HTR6HTR1BHTR1DHTR1ACHRM2
SCHEMBL8506720 0.80 HTR1B (1.00) HTR6HTR1BHTR1DHTR1ACHRM2
SCHEMBL1697466 0.80 HTR1B (0.67) HTR6HTR1BHTR1DHTR1ACHRM2
SCHEMBL8984139 0.80 HTR1B (0.75) HTR6HTR1BHTR1DHTR1ACHRM2
SCHEMBL5647758 0.80 HTR6 (0.66) HTR6HTR1BHTR1DHTR1ACHRM2
Bromide SCHEMBL505857 0.79 HTR6 (0.65) HTR6HTR1BHTR1DHTR1ACHRM2
Eletriptan SCHEMBL798473 0.79 HTR1B (1.00) HTR6HTR1BHTR1DHTR1ACHRM2
Eletriptan SCHEMBL1556539 0.79 HTR1B (1.00) HTR6HTR1BHTR1DHTR1ACHRM2

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
CN-101652065-A Organoleptically acceptable indole serotonin receptor agonist oral dosage formulations and methods of using the same TEIKOKU PHARMA USA INC US 2010-02-17 CN disclosed
CN-101389303-A Method for transdermal administration of indole 5-hydroxytryptamine receptor agonists and transdermal compositions for use therein TEIKOKU PHARMA USA INC (US) 2009-03-18 CN disclosed