SCHEMBL5823362

SCHEMBL5823362

COc1ccc(C)cc1OS(=O)(=O)c1cc(CN2CCNC(C)C2)c2occc2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
MLNR O43193 5/20 0.35
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
XIAP P98170 2/20 0.33
BIRC2 Q13490 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
PIM3 Q86V86 2/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5803553 1.00 HTR6 (0.39) HTR6MLNRGLRA3GLRBXIAP
SCHEMBL5807018 1.00 HTR6 (0.39) HTR6MLNRGLRA3GLRBXIAP
Trifluoroacetic Acid SCHEMBL5817999 0.93 HTR6 (0.35) HTR6MLNRXIAPBIRC2KDM4E
Trifluoroacetic Acid SCHEMBL5820047 0.93 HTR6 (0.35) HTR6MLNRXIAPBIRC2KDM4E
SCHEMBL5803075 0.89 HTR6 (0.43) HTR6KMT2A
SCHEMBL1062412 0.87 HTR6 (0.44) HTR6MLNRXIAPBIRC2TSHR
SCHEMBL5820171 0.86 HTR6 (0.41) HTR6TSHRKMT2A
SCHEMBL1064833 0.85 HTR6 (0.43) HTR6MLNRKMT2A
Hydrochloric Acid SCHEMBL1059423 0.85 HTR6 (0.42) HTR6MLNRKMT2A
SCHEMBL5803080 0.84 HTR6 (0.39) HTR6KDM4EKMT2A

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-2006062481-A1 NEW BENZOFURAN DERIVATIVES AND THEIR USE IN THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS . BIOVITRUM AB (SE) 2006-06-15 WO disclosed