SCHEMBL12531908

SCHEMBL12531908

N#C[C@](O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRM2 P08172 9/20 0.45
CHRM3 P20309 9/20 0.45
CYP2D6 P10635 3/20 0.44
CHRM1 P11229 2/20 0.44
KCNH2 Q12809 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
HRH1 P35367 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL198459 1.00 MAPT (0.52) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL9193099 0.82 MAPT (0.52) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL27700604 0.82 KEAP1 (0.54) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL27821813 0.82 KEAP1 (0.54) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL2062914 0.80 KEAP1 (0.56) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL4889259 0.80 KEAP1 (0.51) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL2062409 0.80 KEAP1 (0.56) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL28606057 0.79 MAPT (0.41) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL10954780 0.79 CHRM3 (0.48) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL4470158 0.78 KEAP1 (0.44) MAPTNPSR1KEAP1NFE2L2CHRM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2327765-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327766-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327767-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2319919-A1 Nitrilases Verenium Corporation (US) 2011-05-11 EP disclosed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP disclosed