SCHEMBL806597

SCHEMBL806597

Cc1sc(Nc2ccc3c(c2)CCC3)nc1C(=O)N1CCC(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 12/20 0.49
TRPC6 Q9Y210 12/20 0.49
DHODH Q02127 2/20 0.44
TRPA1 O75762 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GRM4 Q14833 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
SCHEMBL806599 0.82 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL10087862 0.81 TRPC3 (0.60) TRPC3TRPC6SMN1; SMN2NPC1RAB9A
SCHEMBL12503735 0.76 TRPC3 (0.48) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL10087865 0.75 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806645 0.75 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL10087863 0.75 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL789018 0.74 TRPC3 (0.66) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806632 0.74 TRPC3 (0.63) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL798999 0.74 TRPC3 (0.63) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806650 0.73 TRPC3 (0.56) 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