SCHEMBL1840397

SCHEMBL1840397

COc1cccc(CN(Cc2ccccc2)C(C)CC2CC(n3c(=O)[nH]c4ccccc43)CCN2C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.56
▸ HSD11B1 P28845 4/20 0.53
▸ DRD2 P14416 2/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ OPRD1 P41143 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ OPRL1 P41146 3/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ PAX8 Q06710 2/20 0.43
▸ PLD2 O14939 1/20 0.43
▸ PLD1 Q13393 1/20 0.43
▸ NPY5R Q15761 1/20 0.42

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
SCHEMBL4677814 0.91 OPRM1 (0.50) OPRM1HSD11B1OPRK1OPRL1BCHE
SCHEMBL4677810 0.91 OPRM1 (0.50) OPRM1HSD11B1OPRK1OPRL1BCHE
SCHEMBL1835708 0.89 OPRM1 (0.57) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1835710 0.88 OPRM1 (0.58) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1840395 0.86 OPRM1 (0.56) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1835021 0.86 OPRM1 (0.56) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1840394 0.86 OPRM1 (0.55) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1841565 0.86 OPRM1 (0.48) OPRM1HSD11B1OPRK1OPRL1BCHE
SCHEMBL1833753 0.84 OPRM1 (0.43) OPRM1HSD11B1OPRK1OPRL1BCHE
SCHEMBL4682975 0.83 CHRM1 (0.52) OPRM1DRD2DRD3OPRK1PLD2

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
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
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