SCHEMBL7776165

SCHEMBL7776165

O=C(O)CCc1c(CCO[N+](=O)[O-])ccc2c1CCC(NS(=O)(=O)c1ccc(F)cc1)C2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 12/20 0.56
TBXAS1 P24557 8/20 0.44
PTGDR2 Q9Y5Y4 4/20 0.44
PTGDR Q13258 3/20 0.44
ABCB11 O95342 1/20 0.44
CYP2C9 P11712 1/20 0.44
DRD1 P21728 1/20 0.44
CCKAR P32238 1/20 0.44
RB1 P06400 1/20 0.39

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
SCHEMBL8113368 0.92 TBXA2R (0.49) TBXA2RTBXAS1PTGDR2PTGDRABCB11
SCHEMBL7771855 0.92 TBXA2R (0.68) TBXA2RTBXAS1
SCHEMBL7778084 0.85 TBXA2R (0.54) TBXA2RTBXAS1PTGDR2PTGDRABCB11
SCHEMBL7779019 0.84 TBXA2R (0.69) TBXA2RTBXAS1
SCHEMBL8113863 0.84 TBXA2R (0.59) TBXA2RTBXAS1
SCHEMBL8115014 0.84 TBXA2R (0.57) TBXA2RTBXAS1
SCHEMBL7776177 0.82 TBXA2R (0.61) TBXA2RTBXAS1
SCHEMBL9247892 0.81 TBXA2R (0.82) TBXA2RTBXAS1PTGDR2PTGDRABCB11
SCHEMBL7778006 0.80 TBXA2R (0.66) TBXA2RTBXAS1
SCHEMBL7776213 0.80 TBXA2R (0.62) TBXA2RTBXAS1PTGDR2PTGDRABCB11

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