SCHEMBL6185944

SCHEMBL6185944

NCCc1cc(CCC(=O)O)cc(CCc2ccccc2OCCCN2CCN(c3ccccc3F)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.51
DRD2 P14416 6/20 0.51
HTR6 P50406 1/20 0.46
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
KCNH2 Q12809 1/20 0.45
DRD3 P35462 1/20 0.44

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
SCHEMBL6185942 0.90 ABCB1 (0.60) ABCB1DRD2HTR1AHTR2AKCNH2
SCHEMBL6185348 0.85 ABCB1 (0.60) ABCB1DRD2HTR1AKCNH2DRD3
SCHEMBL6185349 0.83 ABCB1 (0.53) ABCB1DRD2HTR1AKCNH2DRD3
SCHEMBL6184672 0.82 ABCB1 (0.53) ABCB1DRD2KCNH2DRD3
SCHEMBL6184834 0.81 DRD2 (0.51) DRD2HTR6HTR1AHTR2A
SCHEMBL6184251 0.80 DRD1 (0.55) ABCB1KCNH2
SCHEMBL6187774 0.77 ABCB1 (0.58) ABCB1DRD2HTR1AHTR2ADRD3
SCHEMBL6185306 0.77 HTR1A (0.48) DRD2HTR6HTR1AHTR2AKCNH2
SCHEMBL6184077 0.76 HTR2A (0.58) DRD2HTR6HTR1AHTR2AKCNH2
SCHEMBL6185574 0.74 HRH1 (0.52)

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 2 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
EP-1275641-A2 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP disclosed