SCHEMBL13618915

SCHEMBL13618915

O=S(=O)(Nc1ccc2c(c1)[C@@H](O)CC2)c1c(Cl)nc2sccn12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.59
ADRA2A P08913 2/20 0.57
HTR2C P28335 2/20 0.57

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
SCHEMBL1422158 1.00 HTR6 (0.59) HTR6ADRA2AHTR2C
SCHEMBL1422189 0.89 HTR6 (0.47) HTR6ADRA2AHTR2C
SCHEMBL14290503 0.89 HTR6 (0.61) HTR6ADRA2AHTR2C
SCHEMBL1422681 0.87 HTR6 (0.59) HTR6ADRA2AHTR2C
SCHEMBL750178 0.84 HTR6 (0.61) HTR6ADRA2AHTR2C
SCHEMBL730733 0.84 HTR6 (0.61) HTR6ADRA2AHTR2C
SCHEMBL732780 0.83 HTR6 (0.58) HTR6ADRA2AHTR2C
SCHEMBL749511 0.83 HTR6 (0.58) HTR6ADRA2AHTR2C
SCHEMBL13947348 0.82 HTR6 (0.64) HTR6ADRA2AHTR2C
SCHEMBL1421964 0.82 HTR6 (0.62) HTR6ADRA2AHTR2C

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
WO-2009135925-A1 SUBSTITUTED N-IMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-11-12 WO disclosed