SCHEMBL1835019

SCHEMBL1835019

COc1cccc(CN(CCCC2CN(C(=O)O)CCC2n2c(=O)[nH]c3ccccc32)Cc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.49
HSD11B1 P28845 4/20 0.49
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 1/20 0.42
OPRD1 P41143 2/20 0.41
OPRK1 P41145 1/20 0.41
CALM1 P0DP23 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CALCRL Q16602 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TNKS O95271 2/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 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
SCHEMBL1833774 0.93 OPRM1 (0.42) OPRM1HSD11B1DRD2OPRK1BCHE
SCHEMBL1838783 0.93 OPRM1 (0.47) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1834964 0.92 BCHE (0.40) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1835267 0.91 OPRM1 (0.43) OPRM1HSD11B1OPRK1BCHEACHE
SCHEMBL1835802 0.89 OPRM1 (0.47) OPRM1DRD2DRD4DRD3OPRD1
SCHEMBL1834480 0.88 OPRM1 (0.42) OPRM1HSD11B1OPRK1BCHEACHE
SCHEMBL1841563 0.88 OPRM1 (0.42) OPRM1HSD11B1OPRK1BCHEACHE
SCHEMBL1834992 0.86 OPRM1 (0.46) OPRM1DRD2DRD3OPRK1BCHE
SCHEMBL1836258 0.86 PLD1 (0.44) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1831701 0.86 OPRM1 (0.41) OPRM1HSD11B1OPRK1BCHEACHE

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