SCHEMBL6185942

SCHEMBL6185942

NCCc1cc(CCC(=O)O)cc(CCc2ccccc2OCCCN2CCN(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.60
HTR1A P08908 3/20 0.49
DRD2 P14416 3/20 0.48
DRD3 P35462 2/20 0.48
HTR2A P28223 1/20 0.48
HRH1 P35367 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
KCNH2 Q12809 2/20 0.48
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 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
SCHEMBL6185348 0.96 ABCB1 (0.60) ABCB1HTR1ADRD2DRD3KCNH2
SCHEMBL6185944 0.90 ABCB1 (0.51) ABCB1HTR1ADRD2DRD3HTR2A
SCHEMBL6185349 0.88 ABCB1 (0.53) ABCB1HTR1ADRD2DRD3KCNH2
SCHEMBL6187774 0.88 ABCB1 (0.58) ABCB1HTR1ADRD2DRD3HTR2A
SCHEMBL6182349 0.83 ABCB1 (0.58) ABCB1DRD2DRD3KCNH2DRD1
SCHEMBL6184263 0.82 ABCB1 (0.51) ABCB1HTR1AHTR2A
SCHEMBL6184672 0.82 ABCB1 (0.53) ABCB1DRD2DRD3HRH1KCNH2
SCHEMBL6184251 0.82 DRD1 (0.55) ABCB1HRH1KCNH2DRD1DRD5
SCHEMBL6184834 0.81 DRD2 (0.51) HTR1ADRD2HTR2AHRH1
SCHEMBL6182420 0.78 ABCB1 (0.50) ABCB1

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