SCHEMBL10087864

SCHEMBL10087864

CC1CCN(C(=O)c2csc(Nc3ccc(F)cc3F)n2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 11/20 0.81
TRPC6 Q9Y210 11/20 0.81
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
CTRB1 P17538 1/20 0.44
CTRC Q99895 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TRPA1 O75762 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
SCHEMBL789898 0.92 TRPC3 (0.75) TRPC3TRPC6NPC1ALDH1A1HPGD
SCHEMBL10087863 0.80 TRPC3 (0.58) TRPC3TRPC6ALDH1A1HPGDSMN1; SMN2
SCHEMBL806598 0.77 TRPC3 (0.74) TRPC3TRPC6NPC1ALDH1A1HPGD
SCHEMBL789564 0.77 TRPC3 (1.00) TRPC3TRPC6L3MBTL1GAAMAPT
SCHEMBL789091 0.76 TRPC3 (0.78) TRPC3TRPC6NPC1RAB9ASMN1; SMN2
SCHEMBL790396 0.75 TRPC3 (0.77) TRPC3TRPC6NPC1ALDH1A1HPGD
SCHEMBL21708015 0.73 MAPT (0.67) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL806645 0.72 TRPC3 (0.58) TRPC3TRPC6ALDH1A1HPGDSMN1; SMN2
SCHEMBL13450334 0.72 THRB (0.63) ALDH1A1SMN1; SMN2L3MBTL1MAPTKMT2A
SCHEMBL22840323 0.71 NPC1 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed