SCHEMBL807016

SCHEMBL807016

COc1ccc(Nc2nc(C(=O)N3CCc4c(cccc4OC)C3)c(C)s2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 6/20 0.58
TRPC6 Q9Y210 6/20 0.58
MAPT P10636 5/20 0.43
HTT P42858 3/20 0.43
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
TRPA1 O75762 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL10080527 0.80 TRPC3 (0.66) TRPC3TRPC6MAPTLMNATRPA1
SCHEMBL806647 0.79 TRPC3 (0.54) TRPC3TRPC6MAPTHTTPOLB
SCHEMBL10080530 0.76 TRPC3 (0.63) TRPC3TRPC6MAPTHTTGAA
SCHEMBL807012 0.75 TRPC3 (0.62) TRPC3TRPC6MAPTTRPA1CACNA1C
SCHEMBL807015 0.74 TRPC3 (1.00) TRPC3TRPC6MAPTTRPA1CACNA1C
SCHEMBL10080532 0.71 TRPC3 (0.54) TRPC3TRPC6HTTLMNATAS1R3
SCHEMBL10080528 0.71 RAB9A (0.58) TRPC3TRPC6MAPTHTTLMNA
SCHEMBL10080531 0.69 TRPC3 (0.58) TRPC3TRPC6HTTGAAL3MBTL1
SCHEMBL10087863 0.69 TRPC3 (0.58) TRPC3TRPC6MAPTHTTGAA
SCHEMBL4923910 0.68 KDM4E (0.58) TRPC3TRPC6MAPTHTTGAA

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-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed