SCHEMBL806708

SCHEMBL806708

Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCCC(C)[C@@H]1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 10/20 0.68
TRPC6 Q9Y210 10/20 0.68
TRPA1 O75762 2/20 0.68
CACNA1C Q13936 2/20 0.68
SCN5A Q14524 2/20 0.68
TRPV1 Q8NER1 2/20 0.68
TRPV4 Q9HBA0 2/20 0.68
HTT P42858 3/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DHODH Q02127 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
POLB P06746 1/20 0.38

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
SCHEMBL806710 0.83 TRPC3 (0.65) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL798400 0.83 TRPC3 (0.65) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26459111 0.81 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL798463 0.81 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL30186173 0.81 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26458213 0.79 TRPC3 (0.83) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26458205 0.79 TRPC3 (0.83) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806654 0.79 TRPC3 (0.75) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806600 0.76 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL789038 0.75 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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