SCHEMBL6047979

SCHEMBL6047979

Cc1cccc(C)c1-c1cc(Cl)cc2c1OC(CCc1ccccc1S(=O)(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 1/20 0.44
SSTR4 P31391 1/20 0.44
SIRT2 Q8IXJ6 9/20 0.39
AQP1 P29972 3/20 0.39
EZH2 Q15910 1/20 0.32
P2RX4 Q99571 1/20 0.32

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
SCHEMBL6047981 0.85 AQP1 (0.37) SSTR2SSTR4SIRT2AQP1EZH2
SCHEMBL4623673 0.83 AQP1 (0.57) SSTR2SSTR4SIRT2AQP1
SCHEMBL4596497 0.80 SIRT2 (0.56) SSTR2SSTR4SIRT2AQP1EZH2
SCHEMBL4623587 0.78 PRKAB2 (0.35) SSTR2SSTR4AQP1
SCHEMBL4225586 0.77 AQP1 (0.46) SSTR2SSTR4SIRT2AQP1EZH2
SCHEMBL4231413 0.75 AQP1 (0.43) SSTR2SSTR4SIRT2AQP1EZH2
SCHEMBL4221998 0.75 AQP1 (0.52) SSTR2SSTR4SIRT2AQP1EZH2
SCHEMBL4224424 0.73 AQP1 (0.49) SIRT2AQP1EZH2
SCHEMBL4623675 0.72 AQP1 (0.57) AQP1
SCHEMBL4225581 0.72 AQP1 (0.65) SSTR2SSTR4SIRT2AQP1EZH2

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-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed