SCHEMBL789898

SCHEMBL789898

CC1CCN(C(=O)c2csc(Nc3cc(F)ccc3F)n2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 11/20 0.75
TRPC6 Q9Y210 11/20 0.75
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPA1 O75762 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42

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
SCHEMBL10087864 0.92 TRPC3 (0.81) TRPC3TRPC6NPC1ALDH1A1HPGD
SCHEMBL790396 0.77 TRPC3 (0.77) TRPC3TRPC6NPC1ALDH1A1HPGD
SCHEMBL806598 0.77 TRPC3 (0.74) TRPC3TRPC6NPC1ALDH1A1HPGD
SCHEMBL789564 0.77 TRPC3 (1.00) TRPC3TRPC6L3MBTL1GAAMAPT
SCHEMBL789091 0.76 TRPC3 (0.78) TRPC3TRPC6NPC1RAB9ASMN1; SMN2
SCHEMBL21708013 0.73 MAPT (0.67) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10087863 0.72 TRPC3 (0.58) TRPC3TRPC6ALDH1A1HPGDSMN1; SMN2
SCHEMBL22840323 0.71 NPC1 (0.50) TRPC3TRPC6NPC1ALDH1A1HPGD
SCHEMBL12753494 0.70 HSD11B1 (0.64) TRPC3TRPC6NPC1ALDH1A1HPGD
SCHEMBL15014648 0.69 TRPC3 (0.54) TRPC3TRPC6NPC1ALDH1A1HPGD

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