SCHEMBL6184588

SCHEMBL6184588

O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCc2ccccc2OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.58
DRD2 P14416 14/20 0.58
HTR7 P34969 14/20 0.58
HTR6 P50406 14/20 0.58
DRD3 P35462 1/20 0.52

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
SCHEMBL6182962 0.97 HTR2A (0.55) HTR2ADRD2HTR7HTR6DRD3
SCHEMBL6184077 0.85 HTR2A (0.58) HTR2ADRD2HTR6DRD3
SCHEMBL7225536 0.85 TBXA2R (0.42) HTR2ADRD2HTR7HTR6
SCHEMBL6183391 0.82 HTR2A (0.53) HTR2ADRD2HTR6DRD3
SCHEMBL6186018 0.82 HTR2A (0.54) HTR2ADRD2HTR6DRD3
SCHEMBL6184263 0.81 ABCB1 (0.51) HTR2AHTR7HTR6
SCHEMBL792154 0.80 HTR2A (0.86) HTR2ADRD2HTR7HTR6DRD3
SCHEMBL790994 0.79 HTR2A (0.86) HTR2ADRD2HTR7HTR6DRD3
SCHEMBL7235558 0.79 HTR2A (0.49) HTR2ADRD2HTR6DRD3
SCHEMBL6183970 0.79 TBXA2R (0.56)

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