SCHEMBL6187774

SCHEMBL6187774

O=C(O)CCc1cc(CCc2ccccc2OCCCN2CCN(c3ccc(F)cc3)CC2)cc(CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.58
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR1A P08908 5/20 0.46
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL6182349 0.96 ABCB1 (0.58) ABCB1ADRA1DADRA1AADRA1BKDM4E
SCHEMBL6185942 0.88 ABCB1 (0.60) ABCB1HTR1ADRD2HTR2AHRH1
SCHEMBL6185121 0.84 ABCB1 (0.49) ABCB1KDM4EDRD2HRH1DRD3
SCHEMBL6185348 0.83 ABCB1 (0.60) ABCB1HTR1ADRD2DRD3
SCHEMBL6185937 0.83 DRD1 (0.51) ABCB1KDM4ELMNA
SCHEMBL7225838 0.83 DRD2 (0.57) HTR1ADRD2HTR2A
SCHEMBL6183391 0.79 HTR2A (0.53) ADRA1AHTR1ADRD2HTR2AHRH1
SCHEMBL6184263 0.79 ABCB1 (0.51) ABCB1HTR1AHTR2A
SCHEMBL7236592 0.79 DRD2 (0.53) HTR1ADRD2HTR2A
SCHEMBL6185286 0.79 HRH1 (0.46) KDM4EHRH1

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