SCHEMBL6185348

SCHEMBL6185348

NCCc1cc(CCC(=O)O)cc(CCc2ccccc2OCCN2CCN(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.60
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50
DRD3 P35462 1/20 0.50
KCNH2 Q12809 2/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR1A P08908 2/20 0.46
GFER P55789 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 0.96 ABCB1 (0.60) ABCB1DRD2DRD1DRD5DRD3
SCHEMBL6185349 0.92 ABCB1 (0.53) ABCB1DRD2DRD1DRD5DRD3
SCHEMBL6182349 0.87 ABCB1 (0.58) ABCB1DRD2DRD1DRD5DRD3
SCHEMBL6184672 0.87 ABCB1 (0.53) ABCB1DRD2DRD1DRD5DRD3
SCHEMBL6184251 0.86 DRD1 (0.55) ABCB1DRD1DRD5KCNH2
SCHEMBL6185944 0.85 ABCB1 (0.51) ABCB1DRD2DRD3KCNH2HTR1A
SCHEMBL6187774 0.83 ABCB1 (0.58) ABCB1DRD2DRD3HTR1A
SCHEMBL6182420 0.82 ABCB1 (0.50) ABCB1
SCHEMBL6185306 0.81 HTR1A (0.48) DRD2DRD3KCNH2HTR1A
SCHEMBL6184263 0.78 ABCB1 (0.51) ABCB1HTR1A

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