SCHEMBL3965872

SCHEMBL3965872

CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(F)c4ccccc34)cc12

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.75
HTR7 P34969 1/20 0.53
HTR5A P47898 1/20 0.53
MPO P05164 1/20 0.51
HTR1D P28221 1/20 0.49
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL3957586 0.89 HTR6 (0.77) HTR6HTR7HTR5AMPOHTR1D
SCHEMBL3961658 0.87 HTR6 (0.73) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL3147543 0.86 HTR6 (1.00) HTR6HTR7HTR5A
SCHEMBL3961704 0.85 HTR6 (0.80) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL3964605 0.84 HTR6 (0.79) HTR6HTR7HTR5A
SCHEMBL3155934 0.84 HTR6 (0.82) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL3959134 0.83 HTR6 (0.76) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL3148768 0.79 HTR6 (1.00) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL1576109 0.78 HTR6 (0.85) HTR6HTR7HTR5AHTR1AHTR2A
SCHEMBL3148443 0.78 HTR6 (0.82) HTR6HTR7HTR5A

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 5 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