SCHEMBL3966032

SCHEMBL3966032

COc1cccc2cccc(S(=O)(=O)Nc3ccc4[nH]cc(CCN(C)C)c4c3)c12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.73
HTR7 P34969 2/20 0.49
HTR5A P47898 2/20 0.49
HTR1D P28221 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
CYP1A2 P05177 1/20 0.48
HTR1A P08908 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1E P28566 1/20 0.48
HTR1F P30939 1/20 0.48
HTR2B P41595 1/20 0.48
HTR3A P46098 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HTR4 Q13639 1/20 0.48

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
SCHEMBL3959134 0.89 HTR6 (0.76) HTR6HTR7HTR5AHTR1DHTR3E
SCHEMBL3967420 0.87 HTR6 (0.76) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL3957514 0.87 HTR6 (0.76) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL3147543 0.85 HTR6 (1.00) HTR6HTR7HTR5A
SCHEMBL3961658 0.83 HTR6 (0.73) HTR6HTR7HTR5AHTR1DHTR3E
SCHEMBL3142938 0.82 HTR6 (0.77) HTR6HTR7HTR5AKMT2A
SCHEMBL3961704 0.80 HTR6 (0.80) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL3155934 0.79 HTR6 (0.82) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL3964605 0.79 HTR6 (0.79) HTR6HTR7HTR5A
SCHEMBL3962939 0.78 HTR6 (0.67) HTR6HTR7HTR5AHTR1DHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009036955-A1 NAPHTYL-SUBSTITUTED SULFONAMIDES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-03-26 WO claimed
EP-2036888-A1 Naphthyl-substituted sulfonamides Laboratorios del Dr. Esteve S.A. (ES) 2009-03-18 EP claimed
WO-2009036955-A1 NAPHTYL-SUBSTITUTED SULFONAMIDES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-03-26 WO disclosed
WO-2009036955-A1 NAPHTYL-SUBSTITUTED SULFONAMIDES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-03-26 WO disclosed
EP-2036888-A1 Naphthyl-substituted sulfonamides Laboratorios del Dr. Esteve S.A. (ES) 2009-03-18 EP disclosed
EP-2036888-A1 Naphthyl-substituted sulfonamides Laboratorios del Dr. Esteve S.A. (ES) 2009-03-18 EP disclosed