SCHEMBL1018608

SCHEMBL1018608

O=C(O)COc1cc(S(=O)(=O)c2cccc(F)c2)ccc1[C@@H]1CCNC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL1015644 1.00 HTR6 (0.48) HTR6PTGDR2HTR2CHTR2B
SCHEMBL1015228 0.91 HTR6 (0.48) HTR6HTR2CHTR2B
SCHEMBL1015227 0.91 HTR6 (0.48) HTR6HTR2CHTR2B
SCHEMBL1013417 0.90 HTR6 (0.47) HTR6HTR2CHTR2B
SCHEMBL1013418 0.90 HTR6 (0.47) HTR6HTR2CHTR2B
SCHEMBL1015429 0.89 HTR6 (0.47) HTR6HTR2CHTR2B
SCHEMBL1016305 0.87 HTR6 (0.49) HTR6HTR2CHTR2B
SCHEMBL1012439 0.87 HTR6 (0.49) HTR6HTR2CHTR2B
Hydrochloric Acid SCHEMBL1015772 0.86 HTR6 (0.51) HTR6HTR2CHTR2B
SCHEMBL1013416 0.84 HTR6 (0.47) HTR6HTR2CHTR2B

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
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP claimed