SCHEMBL5697906

SCHEMBL5697906

O=C(NCc1ccccc1-c1ccccc1OC(=O)NCCc1ccccn1)OCCCC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.52
KCNA3 P22001 2/20 0.52
KCNK3 O14649 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
HTT P42858 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 2/20 0.37
NAAA Q02083 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
KCNH2 Q12809 2/20 0.36
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.35

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
SCHEMBL5697922 0.88 KCNA5 (0.54) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL2208950 0.87 KCNA5 (0.70) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL3162863 0.83 KCNA5 (0.75) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL5697921 0.82 KCNA5 (0.66) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL2211824 0.81 KCNA5 (0.53) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL5697901 0.80 KCNA5 (0.56) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL5697889 0.78 RAB9A (0.55) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL5697899 0.78 TAS1R3 (0.49) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL5697897 0.77 KCNA5 (0.63) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL5697855 0.77 KCNA5 (0.63) KCNA5KCNA3KCNK3TAS1R3TAS1R1

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-1222163-B1 2'-SUBSTITUTED 1,1'-BIPHENYL-2-CARBONAMIDES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-07-12 EP disclosed
EP-1222163-A1 2'-SUBSTITUTED 1,1'-BIPHENYL-2-CARBONAMIDES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS Aventis Pharma Deutschland GmbH (DE) 2002-07-17 EP disclosed
WO-2001025189-A1 2'-SUBSTITUTED 1,1'-BIPHENYL-2-CARBONAMIDES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-12 WO disclosed