SCHEMBL788988

SCHEMBL788988

CC(C)Oc1ccc(Nc2nc(C(=O)N3CCCC(C)C3C)cs2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 16/20 0.59
TRPC6 Q9Y210 16/20 0.59
TRPA1 O75762 2/20 0.59
CACNA1C Q13936 2/20 0.59
SCN5A Q14524 2/20 0.59
TRPV1 Q8NER1 2/20 0.59
TRPV4 Q9HBA0 2/20 0.59
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL789038 0.84 TRPC3 (0.77) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806596 0.80 TRPC3 (0.74) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806707 0.80 TRPC3 (0.60) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL789250 0.76 TRPC3 (0.70) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL789503 0.75 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26458205 0.72 TRPC3 (0.83) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26458213 0.72 TRPC3 (0.83) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL790364 0.72 TRPC3 (0.77) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL23771825 0.71 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL798463 0.71 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-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed