SCHEMBL790364

SCHEMBL790364

CC1CCCN(C(=O)c2csc(Nc3ccc4c(c3)OC(F)(F)O4)n2)C1C

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 17/20 0.77
TRPC6 Q9Y210 17/20 0.77
TRPA1 O75762 2/20 0.69
CACNA1C Q13936 2/20 0.69
SCN5A Q14524 2/20 0.69
TRPV1 Q8NER1 2/20 0.69
TRPV4 Q9HBA0 2/20 0.69
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCD5 Q86SK9 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
SCHEMBL23771825 0.87 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806707 0.86 TRPC3 (0.60) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL789503 0.82 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL788993 0.78 TRPC3 (0.68) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806596 0.76 TRPC3 (0.74) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL789250 0.76 TRPC3 (0.70) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL788988 0.72 TRPC3 (0.59) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806654 0.70 TRPC3 (0.75) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL23771772 0.67 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL23771822 0.66 TRPC3 (1.00) TRPC3TRPC6SMN1; SMN2

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