SCHEMBL5697889

SCHEMBL5697889

O=C(NCc1ccccc1-c1ccccc1OC(=O)NCCc1ccccn1)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
NPC1 O15118 2/20 0.55
KCNA5 P22460 6/20 0.52
KCNA3 P22001 2/20 0.52
KCNK3 O14649 1/20 0.52
CNR1 P21554 1/20 0.52
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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 0.86 KCNA5 (0.56) RAB9ANPC1KCNA5KCNA3KCNK3
SCHEMBL3162863 0.83 KCNA5 (0.75) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL2208589 0.83 KCNA5 (0.68) RAB9ANPC1KCNA5KCNA3KCNK3
SCHEMBL5697899 0.82 TAS1R3 (0.49) RAB9ANPC1KCNA5KCNA3KCNK3
SCHEMBL5697905 0.82 KCNA5 (0.49) RAB9AKCNA5KCNA3KCNK3TAS1R3
SCHEMBL727201 0.81 KCNA5 (0.76) RAB9ANPC1KCNA5KCNA3KCNK3
SCHEMBL5697890 0.81 KCNA5 (0.76) RAB9ANPC1KCNA5KCNA3KCNK3
SCHEMBL5697922 0.80 KCNA5 (0.54) RAB9ANPC1KCNA5KCNA3KCNK3
SCHEMBL5697829 0.80 ALDH1A1 (0.49) RAB9ANPC1KCNA5KCNA3KCNK3
SCHEMBL5697836 0.80 KCNA5 (0.69) RAB9ANPC1KCNA5SMN1; SMN2KMT2A

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 1 patent. 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