SCHEMBL6182420

SCHEMBL6182420

O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCc2ccccc2OCCN2CCN(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.50
TBXA2R P21731 1/20 0.50
TBXAS1 P24557 5/20 0.46
HTR7 P34969 1/20 0.45

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
SCHEMBL6184263 0.96 ABCB1 (0.51) ABCB1TBXA2RTBXAS1HTR7
SCHEMBL6184857 0.91 ABCB1 (0.61) ABCB1HTR7
SCHEMBL6183970 0.89 TBXA2R (0.56) TBXA2RTBXAS1
SCHEMBL6183084 0.89 TBXA2R (0.54) TBXA2RTBXAS1
SCHEMBL6187752 0.87 ABCB1 (0.61) ABCB1HTR7
SCHEMBL6182991 0.84 HTR2A (0.53) TBXA2RHTR7
Hydrochloric Acid SCHEMBL7225841 0.84 HTR2A (0.52) HTR7
SCHEMBL6185348 0.82 ABCB1 (0.60) ABCB1
SCHEMBL6182962 0.81 HTR2A (0.55) HTR7
SCHEMBL7225536 0.81 TBXA2R (0.42) TBXA2RTBXAS1HTR7

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-1275641-B1 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-01-12 EP disclosed
US-6541471-B1 Useful as a TXA2 receptor antagonist and a 5-HT2 receptor antagonist LES LABORATOIRES SERVIER (FR) 2003-04-01 US disclosed
EP-1275641-A2 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP disclosed