SCHEMBL5697899

SCHEMBL5697899

NCc1ccccc1-c1ccccc1OC(=O)NCCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
KCNA5 P22460 6/20 0.48
KCNA3 P22001 2/20 0.48
KCNK3 O14649 1/20 0.48
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HSD11B1 P28845 1/20 0.41

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
SCHEMBL5697901 0.84 KCNA5 (0.56) TAS1R3TAS1R1KCNA5KCNA3KCNK3
SCHEMBL5697829 0.84 ALDH1A1 (0.49) TAS1R3TAS1R1KCNA5KCNA3KCNK3
SCHEMBL5697889 0.82 RAB9A (0.55) TAS1R3TAS1R1KCNA5KCNA3KCNK3
SCHEMBL5697878 0.82 TAAR1 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1CA12
SCHEMBL5697905 0.81 KCNA5 (0.49) TAS1R3TAS1R1KCNA5KCNA3KCNK3
SCHEMBL3162863 0.81 KCNA5 (0.75) TAS1R3TAS1R1KCNA5KCNA3KCNK3
SCHEMBL5697847 0.81 TAS1R3 (0.52) TAS1R3TAS1R1KCNA5KCNA3KCNK3
SCHEMBL2210945 0.80 KCNA5 (0.64) KCNA5KCNA3KCNK3RAB9ANPC1
SCHEMBL5697922 0.80 KCNA5 (0.54) TAS1R3TAS1R1KCNA5KCNA3KCNK3
SCHEMBL5697921 0.79 KCNA5 (0.66) TAS1R3TAS1R1KCNA5KCNA3KCNK3

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