SCHEMBL3965477

SCHEMBL3965477

CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 1.00
HTR1A P08908 1/20 0.75
HTR1D P28221 1/20 0.75
HTR1B P28222 1/20 0.75
HTR2A P28223 1/20 0.75
HTR2C P28335 1/20 0.75
HTR1F P30939 1/20 0.75
HTR7 P34969 1/20 0.75
DRD3 P35462 1/20 0.75

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
SCHEMBL13908196 1.00 HTR6 (1.00) HTR6HTR1AHTR1DHTR1BHTR2A
Oxalic Acid SCHEMBL3962204 0.97 HTR6 (0.93) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL13908161 0.87 HTR6 (0.77) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL8789301 0.83 HTR6 (0.77) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL8789308 0.83 HTR6 (0.77) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL3153292 0.81 HTR6 (1.00) HTR6
SCHEMBL3324172 0.81 HTR6 (0.82) HTR6
SCHEMBL3962202 0.80 HTR6 (0.64) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL3138888 0.79 HTR6 (0.86) HTR6HTR1AHTR2AHTR2CHTR7
SCHEMBL8789654 0.77 HTR1B (0.68) HTR6HTR1AHTR1DHTR1B

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
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