SCHEMBL806647

SCHEMBL806647

COc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)c(C)s2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 9/20 0.54
TRPC6 Q9Y210 9/20 0.54
TRPA1 O75762 1/20 0.54
CACNA1C Q13936 1/20 0.54
SCN5A Q14524 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
TRPV4 Q9HBA0 1/20 0.54
CPS1 P31327 4/20 0.44
POLB P06746 2/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MGLL Q99685 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL806645 0.88 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL10087863 0.88 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL790044 0.87 TRPC3 (0.71) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806650 0.87 TRPC3 (0.56) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL12503735 0.80 TRPC3 (0.48) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL807016 0.79 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL10087865 0.77 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL789018 0.76 TRPC3 (0.66) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL790188 0.76 TRPC3 (0.72) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL789038 0.76 TRPC3 (0.77) TRPC3TRPC6TRPA1CACNA1CSCN5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed