SCHEMBL5656829

SCHEMBL5656829

O=S(=O)(Nc1ccc2[nH]cc(CCN3CCOCC3)c2c1)c1ccccc1-c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.76
HTR1A P08908 3/20 0.49
HTR7 P34969 3/20 0.49
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR1F P30939 1/20 0.47

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
SCHEMBL3142976 0.87 HTR6 (0.79) HTR6
SCHEMBL3153146 0.86 HTR6 (1.00) HTR6HTR1AHTR7HTR1DHTR1B
Biphenyl SCHEMBL4968404 0.85 HTR6 (0.67) HTR6HTR1AHTR7HTR1DHTR1B
SCHEMBL3156785 0.82 HTR6 (0.79) HTR6
SCHEMBL3147744 0.81 HTR6 (1.00) HTR6
SCHEMBL4968803 0.80 HTR6 (0.84) HTR6HTR7HTR1DHTR1B
SCHEMBL3147704 0.78 HTR6 (1.00) HTR6HTR1AHTR7HTR1DHTR1B
SCHEMBL4969882 0.77 HTR6 (0.76) HTR6HTR7HTR1DHTR1BHTR2A
SCHEMBL3153502 0.73 HTR6 (0.69) HTR6HTR1AHTR7HTR1DHTR1B
SCHEMBL4966642 0.72 HTR6 (0.64) HTR6HTR7HTR1DHTR1B

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
US-7176200-B2 Derivatives of sulphonamides, their preparation and use as medicaments LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2007-02-13 US claimed