SCHEMBL1837992

SCHEMBL1837992

COc1ccc(CN(CCC[C@H]2CC(n3c(=O)[nH]c4ccccc43)CCN2C(=O)O)Cc2ccccc2)cc1.O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.52
HSD11B1 P28845 4/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CALCRL Q16602 1/20 0.48
PLD2 O14939 1/20 0.46
PLD1 Q13393 1/20 0.46
PAX8 Q06710 2/20 0.45
ALDH1A1 P00352 3/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
OPRK1 P41145 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRL1 P41146 1/20 0.43

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
SCHEMBL1838785 0.96 OPRM1 (0.54) OPRM1HSD11B1BCHEACHECALCRL
SCHEMBL3400380 0.96 OPRM1 (0.54) OPRM1HSD11B1BCHEACHECALCRL
SCHEMBL1836059 0.92 OPRM1 (0.55) OPRM1HSD11B1BCHEACHECALCRL
SCHEMBL1835021 0.90 OPRM1 (0.56) OPRM1HSD11B1BCHEACHEPLD2
SCHEMBL1837901 0.90 CHRM1 (0.49) OPRM1HSD11B1BCHEACHEPLD2
SCHEMBL3666703 0.90 OPRM1 (0.51) OPRM1BCHEACHEPLD2PLD1
SCHEMBL1840395 0.90 OPRM1 (0.56) OPRM1HSD11B1BCHEACHEPLD2
SCHEMBL1837876 0.90 OPRM1 (0.50) OPRM1HSD11B1BCHEACHECALCRL
SCHEMBL1841441 0.90 HSD11B1 (0.47) OPRM1HSD11B1BCHEACHEALDH1A1
SCHEMBL3403017 0.89 OPRM1 (0.50) OPRM1BCHEACHEPLD2PLD1

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