SCHEMBL77469

SCHEMBL77469

CC(C)(C)OC(=O)N1C[C@H]([Se]c2ccccc2)CC1C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.53
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL3110592 0.89 F10 (0.56) F10MAPTTDP1PTGS2
SCHEMBL76575 0.86 F10 (0.69) F10MAPTNPC1
SCHEMBL8314192 0.86 F10 (0.59) F10MAPTTDP1NPC1
SCHEMBL77720 0.84 F10 (0.60) F10MAPTNPC1
SCHEMBL76354 0.81 F10 (0.57) F10MAPTNPC1
SCHEMBL14311444 0.81 F10 (0.51) F10MAPTNPC1
SCHEMBL75813 0.80 NPC1 (0.63) F10NPC1PTGS2
SCHEMBL8269738 0.80 NPC1 (0.63) F10NPC1PTGS2
SCHEMBL85161 0.80 F10 (0.62) F10MAPTNPC1
SCHEMBL85110 0.79 F10 (0.60) F10MAPTNPC1

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
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed