SCHEMBL6644172

SCHEMBL6644172

CCn1cc(C2CCN(C)CC2)c2cc(OS(=O)(=O)c3cccc(F)c3F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.57
HRH2 P25021 8/20 0.38
RORC P51449 2/20 0.37
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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 SCHEMBL6649932 0.90 HTR6 (0.54) HTR6HRH2RORCHTR2AHTR2C
SCHEMBL5770874 0.90 HTR6 (0.70) HTR6HRH2DRD2SLC6A4HTR2A
Oxalic Acid SCHEMBL6646744 0.87 HTR6 (0.51) HTR6HRH2RORCDRD2HTR2A
Oxalic Acid SCHEMBL5372086 0.86 HTR6 (0.65) HTR6HRH2HTR2AHTR2CHTR2B
SCHEMBL6646628 0.86 HTR6 (0.49) HTR6HRH2RORCDRD2SLC6A4
Oxalic Acid SCHEMBL6649675 0.85 HTR6 (0.63) HTR6RORCDRD2SLC6A4
SCHEMBL5767852 0.84 HTR6 (0.72) HTR6HRH2DRD2SLC6A4HTR2A
SCHEMBL5769224 0.83 HTR6 (0.50) HTR6HRH2HTR2AHTR2CHTR2B
Oxalic Acid SCHEMBL6648319 0.82 HTR6 (0.53) HTR6HRH2RORC
Oxalic Acid SCHEMBL5375349 0.80 HTR6 (0.66) HTR6HRH2DRD2SLC6A4HTR2A

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
EP-1377580-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-07 EP claimed
WO-2002060871-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-08-08 WO claimed