SCHEMBL6185306

SCHEMBL6185306

NCCc1cc(CCC(=O)O)cc(CCc2ccccc2OCCN2CCN(c3nsc4ccccc34)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.48
DRD2 P14416 9/20 0.48
HTR2A P28223 9/20 0.48
HTR7 P34969 2/20 0.45
KCNH2 Q12809 2/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
HTR6 P50406 1/20 0.44
DRD3 P35462 1/20 0.43

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
SCHEMBL6184834 0.96 DRD2 (0.51) HTR1ADRD2HTR2AHTR7HTR2C
SCHEMBL7236592 0.89 DRD2 (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7225838 0.85 DRD2 (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6182991 0.84 HTR2A (0.53) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL7225841 0.83 HTR2A (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6184672 0.82 ABCB1 (0.53) DRD2KCNH2HRH1DRD3
SCHEMBL6185348 0.81 ABCB1 (0.60) HTR1ADRD2KCNH2DRD3
SCHEMBL7225705 0.80 HTR2A (0.56) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL7226979 0.80 HTR2A (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6184251 0.79 DRD1 (0.55) KCNH2HRH1

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