SCHEMBL7777976

SCHEMBL7777976

O=Cc1c(OCCO)ccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 11/20 0.52
HDAC8 Q9BY41 2/20 0.47
TBXAS1 P24557 6/20 0.46
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL7779014 0.83 TBXA2R (0.58) TBXA2RHDAC8TBXAS1
SCHEMBL7777970 0.83 TBXA2R (0.71) TBXA2RHDAC8TBXAS1
SCHEMBL8121810 0.81 TBXA2R (0.57) TBXA2RHDAC8TBXAS1
SCHEMBL8120060 0.81 TBXA2R (0.62) TBXA2RHDAC8TBXAS1
SCHEMBL7777964 0.79 TBXA2R (0.54) TBXA2RHDAC8TBXAS1
SCHEMBL9015501 0.79 TBXA2R (0.64) TBXA2RHDAC8TBXAS1
SCHEMBL7779038 0.78 TBXA2R (0.53) TBXA2RHDAC8TBXAS1
SCHEMBL7777991 0.77 TBXA2R (0.53) TBXA2RHDAC8TBXAS1
SCHEMBL7776190 0.74 TBXAS1 (0.52) TBXA2RHDAC8TBXAS1
SCHEMBL9015461 0.74 TBXA2R (0.54) TBXA2RHDAC8TBXAS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0864561-B1 Benzenesulfonylamine derivatives,process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-09-05 EP disclosed
US-6013667-A Benzenesulfonylamine compounds, process for preparing them and pharmaceutical compositions ADIR ET COMPAGNIE (FR) 2000-01-11 US disclosed
EP-0864561-A1 Benzenesulfonylamine derivatives,process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-16 EP disclosed