SCHEMBL806925

SCHEMBL806925

CC1c2ccccc2CCN1C(=O)c1csc(Nc2cc3c(cc2F)OCO3)n1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 12/20 0.77
TRPC6 Q9Y210 12/20 0.77
GRM5 P41594 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
MDM2 Q00987 1/20 0.42
SPR P35270 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP1 P09874 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
SCHEMBL23771772 0.87 TRPC3 (1.00) TRPC3TRPC6GRM5L3MBTL1MDM2
SCHEMBL806596 0.78 TRPC3 (0.74) TRPC3TRPC6NPC1RAB9A
SCHEMBL23771823 0.71 TRPC3 (1.00) TRPC3TRPC6GRM5SPRNPC1
SCHEMBL807013 0.70 TRPC3 (1.00) TRPC3TRPC6L3MBTL1MDM2NPC1
SCHEMBL806707 0.69 TRPC3 (0.60) TRPC3TRPC6L3MBTL1NPC1ALDH1A1
SCHEMBL789250 0.68 TRPC3 (0.70) TRPC3TRPC6L3MBTL1NPC1ALDH1A1
SCHEMBL806828 0.68 TRPC3 (0.64) TRPC3TRPC6GRM5L3MBTL1MDM2
SCHEMBL10080529 0.68 TRPC3 (0.58) TRPC3TRPC6GRM5L3MBTL1MDM2
SCHEMBL23149500 0.66 SPR (0.52) TRPC3TRPC6GRM5SPRALDH1A1
SCHEMBL23771825 0.66 TRPC3 (1.00) TRPC3TRPC6NPC1RAB9A

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