SCHEMBL6184263

SCHEMBL6184263

O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCc2ccccc2OCCCN2CCN(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.51
TBXA2R P21731 1/20 0.49
HTR7 P34969 3/20 0.48
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
TBXAS1 P24557 1/20 0.45
HTR6 P50406 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
SCHEMBL6182420 0.96 ABCB1 (0.50) ABCB1TBXA2RHTR7TBXAS1
SCHEMBL6187752 0.91 ABCB1 (0.61) ABCB1HTR7HTR1AHTR2AHTR2C
SCHEMBL6184857 0.87 ABCB1 (0.61) ABCB1HTR7HTR1AHTR2AHTR2C
SCHEMBL6183970 0.86 TBXA2R (0.56) TBXA2RTBXAS1
SCHEMBL6183084 0.85 TBXA2R (0.54) TBXA2RTBXAS1
SCHEMBL7225705 0.84 HTR2A (0.56) HTR7HTR1AHTR2AHTR6
Hydrochloric Acid SCHEMBL7226979 0.84 HTR2A (0.55) HTR7HTR1AHTR2AHTR6
SCHEMBL6185942 0.82 ABCB1 (0.60) ABCB1HTR1AHTR2A
SCHEMBL6184588 0.81 HTR2A (0.58) HTR7HTR2AHTR6
SCHEMBL6182991 0.81 HTR2A (0.53) TBXA2RHTR7HTR1AHTR2AHTR6

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