SCHEMBL807012

SCHEMBL807012

Cc1sc(Nc2ccc(C#N)cc2F)nc1C(=O)N1CCc2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 6/20 0.62
TRPC6 Q9Y210 6/20 0.62
TRPA1 O75762 2/20 0.47
CACNA1C Q13936 1/20 0.47
SCN5A Q14524 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
TRPV4 Q9HBA0 1/20 0.47
GRM5 P41594 3/20 0.46
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
RAB9A P51151 2/20 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
SCHEMBL10080527 0.88 TRPC3 (0.66) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL10080530 0.86 TRPC3 (0.63) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL10080528 0.81 RAB9A (0.58) TRPC3TRPC6ALDH1A1MEN1MAPT
SCHEMBL10080532 0.79 TRPC3 (0.54) TRPC3TRPC6ALDH1A1MEN1KMT2A
SCHEMBL10080531 0.79 TRPC3 (0.58) TRPC3TRPC6ALDH1A1CNR1CNR2
SCHEMBL790485 0.77 NPC1 (0.55) TRPC3TRPC6ALDH1A1MEN1MAPT
SCHEMBL807015 0.76 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL807016 0.75 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL807014 0.73 TRPC3 (0.73) TRPC3TRPC6ALDH1A1MEN1MAPT
SCHEMBL10080529 0.69 TRPC3 (0.58) TRPC3TRPC6GRM5ALDH1A1MEN1

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