SCHEMBL807011

SCHEMBL807011

Cc1sc(Nc2ccc3c(c2)OCO3)nc1C(=O)N1CCC2N=CC=CC2C1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 12/20 0.58
TRPC6 Q9Y210 12/20 0.58
TRPA1 O75762 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
USP2 O75604 2/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL23771823 0.74 TRPC3 (1.00) TRPC3TRPC6DHODHNPC1SMN1; SMN2
SCHEMBL806599 0.73 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806654 0.72 TRPC3 (0.75) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL10087862 0.72 TRPC3 (0.60) TRPC3TRPC6KDM4ENPC1RAB9A
SCHEMBL807014 0.71 TRPC3 (0.73) TRPC3TRPC6DHODHNPC1RAB9A
SCHEMBL807009 0.70 TRPC3 (0.69) TRPC3TRPC6DHODHLMNANPC1
SCHEMBL806600 0.68 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL789220 0.67 MAPT (0.53) TRPC3TRPC6DHODHKDM4ELMNA
SCHEMBL806653 0.66 TRPC3 (0.54) TRPC3TRPC6NPC1RAB9ANPSR1
SCHEMBL23771825 0.65 TRPC3 (1.00) 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-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed