SCHEMBL6183970

SCHEMBL6183970

O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCc2ccccc2OCCN2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.56
TBXAS1 P24557 8/20 0.51
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6183084 0.93 TBXA2R (0.54) TBXA2RTBXAS1
SCHEMBL6182420 0.89 ABCB1 (0.50) TBXA2RTBXAS1
SCHEMBL6184263 0.86 ABCB1 (0.51) TBXA2RTBXAS1
SCHEMBL6182991 0.85 HTR2A (0.53) TBXA2R
Hydrochloric Acid SCHEMBL7225841 0.85 HTR2A (0.52)
SCHEMBL6186223 0.84 TBXA2R (0.59) TBXA2RTBXAS1
SCHEMBL6184164 0.83 TBXA2R (0.58) TBXA2RTBXAS1
SCHEMBL6182528 0.83 TBXA2R (0.57) TBXA2RTBXAS1
SCHEMBL6182962 0.82 HTR2A (0.55)
SCHEMBL7225536 0.82 TBXA2R (0.42) TBXA2RTBXAS1

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 5 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 claimed
US-6541471-B1 Useful as a TXA2 receptor antagonist and a 5-HT2 receptor antagonist LES LABORATOIRES SERVIER (FR) 2003-04-01 US claimed
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