SCHEMBL6184834

SCHEMBL6184834

NCCc1cc(CCC(=O)O)cc(CCc2ccccc2OCCCN2CCN(c3nsc4ccccc34)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.51
HTR1A P08908 7/20 0.51
HTR2A P28223 7/20 0.51
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 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
SCHEMBL6185306 0.96 HTR1A (0.48) DRD2HTR1AHTR2AHTR2CADRA1A
SCHEMBL7225838 0.89 DRD2 (0.57) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7236592 0.85 DRD2 (0.53) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7225705 0.84 HTR2A (0.56) DRD2HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL7226979 0.83 HTR2A (0.55) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6185944 0.81 ABCB1 (0.51) DRD2HTR1AHTR2AHTR6
SCHEMBL6185942 0.81 ABCB1 (0.60) DRD2HTR1AHTR2AHRH1
SCHEMBL6182991 0.80 HTR2A (0.53) DRD2HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL7225841 0.80 HTR2A (0.52) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6184672 0.78 ABCB1 (0.53) DRD2HRH1

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