SCHEMBL7800033

SCHEMBL7800033

CC(C)COC(=O)NS(=O)(=O)c1ccccc1-c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.43
AGTR2 P50052 4/20 0.42
AGTR1 P30556 3/20 0.42
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38

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
SCHEMBL7803961 0.78 AGTR1 (0.51) AGTR2AGTR1OPRM1OPRK1
SCHEMBL7803777 0.76 AGTR1 (0.45) AGTR2AGTR1
SCHEMBL8317959 0.70 OXTR (0.36) OXTR
SCHEMBL24581535 0.70 TNK2 (0.37) OXTR
SCHEMBL6151300 0.68 LTA4H (0.43) OPRM1OPRK1
SCHEMBL7137362 0.67 GAA (0.35)
SCHEMBL8323062 0.67 OXTR (0.39) OXTR
SCHEMBL11772440 0.67 ABCB11 (0.39)
SCHEMBL7799808 0.67 ALDH1A1 (0.43) AGTR2AGTR1
SCHEMBL13564558 0.67 HPGD (0.42)

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-0749964-B1 N-Heterocyclyl biphenyl sulfonamides ASTRAZENECA AB (SE) 2001-10-04 EP disclosed
EP-0749964-A1 N-Heterocyclyl biphenyl sulfonamides ZENECA LIMITED (GB) 1996-12-27 EP disclosed