SCHEMBL1840394

SCHEMBL1840394

CCC(C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1cccc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.55
▸ HSD11B1 P28845 2/20 0.51
▸ DRD2 P14416 3/20 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
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ CHRM1 P11229 3/20 0.43
▸ CHRM2 P08172 2/20 0.43
▸ CHRM3 P20309 2/20 0.43
▸ PAX8 Q06710 2/20 0.43
▸ PLD2 O14939 1/20 0.42
▸ PLD1 Q13393 1/20 0.42
▸ OPRL1 P41146 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL3803735 0.91 OPRM1 (0.49) OPRM1HSD11B1OPRK1BCHEACHE
SCHEMBL1835708 0.91 OPRM1 (0.57) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1840397 0.86 OPRM1 (0.56) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1836434 0.85 OPRM1 (0.49) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1833748 0.84 OPRM1 (0.42) OPRM1OPRK1BCHEACHECHRM1
SCHEMBL1836056 0.84 OPRM1 (0.55) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL4682963 0.84 CHRM1 (0.51) OPRM1DRD2DRD3OPRK1CHRM1
SCHEMBL1833800 0.84 BCHE (0.45) OPRM1DRD2OPRK1BCHEACHE
SCHEMBL3397204 0.84 OPRM1 (0.47) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1835710 0.82 OPRM1 (0.58) OPRM1HSD11B1DRD2DRD4DRD3

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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