SCHEMBL1838783

SCHEMBL1838783

COc1ccc(CN(CCCC2CN(C(=O)O)CCC2n2c(=O)[nH]c3ccccc32)Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CALCRL Q16602 1/20 0.44
HSD11B1 P28845 4/20 0.43
PLD2 O14939 1/20 0.42
PLD1 Q13393 1/20 0.42
PAX8 Q06710 2/20 0.41
OPRK1 P41145 2/20 0.40
OPRD1 P41143 1/20 0.40
ALDH1A1 P00352 4/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL1835019 0.93 OPRM1 (0.49) OPRM1BCHEACHECALCRLHSD11B1
SCHEMBL1835267 0.93 OPRM1 (0.43) OPRM1BCHEACHECALCRLHSD11B1
SCHEMBL1841563 0.90 OPRM1 (0.42) OPRM1BCHEACHECALCRLHSD11B1
SCHEMBL1834480 0.90 OPRM1 (0.42) OPRM1BCHEACHECALCRLHSD11B1
SCHEMBL1836258 0.90 PLD1 (0.44) OPRM1BCHEACHECALCRLHSD11B1
SCHEMBL1834992 0.90 OPRM1 (0.46) OPRM1BCHEACHEPLD2PLD1
SCHEMBL1831701 0.88 OPRM1 (0.41) OPRM1BCHEACHECALCRLHSD11B1
SCHEMBL1833774 0.88 OPRM1 (0.42) OPRM1BCHEACHECALCRLHSD11B1
SCHEMBL3403286 0.87 OPRM1 (0.39) OPRM1BCHEACHECALCRLHSD11B1
SCHEMBL1837578 0.87 OPRM1 (0.38) OPRM1BCHEACHECALCRLHSD11B1

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
EP-2160098-B9 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-05-18 EP claimed
EP-2160098-B1 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-11-10 EP claimed