SCHEMBL3961769

SCHEMBL3961769

Cn1cc(CCN2CCCC2)c2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.69
POLB P06746 1/20 0.48
PAX8 Q06710 1/20 0.48
LMNA P02545 1/20 0.47
SLC6A9 P48067 2/20 0.46
NTSR1 P30989 1/20 0.46
NR1I2 O75469 1/20 0.46

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
Oxalic Acid SCHEMBL3957512 0.95 HTR6 (0.64) HTR6POLBPAX8LMNASLC6A9
SCHEMBL3147704 0.82 HTR6 (1.00) HTR6
SCHEMBL3142917 0.78 HTR6 (0.85) HTR6SLC6A9NTSR1NR1I2
SCHEMBL4037350 0.76 HTR6 (1.00) HTR6SLC6A9NTSR1NR1I2
SCHEMBL3153226 0.76 HTR6 (0.74) HTR6SLC6A9NTSR1NR1I2
SCHEMBL3153146 0.74 HTR6 (1.00) HTR6
SCHEMBL6270103 0.72 HTR6 (0.55) HTR6SLC6A9NR1I2
SCHEMBL6273953 0.71 SLC6A9 (0.55) HTR6SLC6A9
SCHEMBL13106713 0.69 HTR6 (0.58) HTR6NTSR1NR1I2
Hydrochloric Acid SCHEMBL11101542 0.69 ALOX15 (0.64) HTR6SLC6A9

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