SCHEMBL1831985

SCHEMBL1831985

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.53
OPRK1 P41145 5/20 0.48
OPRL1 P41146 5/20 0.48
OPRD1 P41143 2/20 0.48
PLD1 Q13393 6/20 0.46
PLD2 O14939 3/20 0.46
SLC18A3 Q16572 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL6580649 0.79 OPRM1 (0.62) OPRM1OPRK1OPRL1OPRD1PLD1
SCHEMBL1838993 0.78 OPRM1 (0.53) OPRM1OPRK1OPRL1OPRD1PLD1
SCHEMBL6580272 0.78 OPRM1 (0.66) OPRM1OPRK1OPRL1OPRD1SLC18A3
SCHEMBL1837269 0.78 OPRM1 (0.54) OPRM1OPRK1OPRL1OPRD1PLD2
SCHEMBL1831981 0.77 OPRM1 (0.58) OPRM1PLD1PLD2ALDH1A1
SCHEMBL27804049 0.74 ALDH1A1 (0.58) OPRM1OPRK1OPRL1OPRD1PLD1
SCHEMBL27782364 0.74 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1PLD1
SCHEMBL4679191 0.73 OPRM1 (0.53) OPRM1OPRK1OPRL1OPRD1PLD1
SCHEMBL22716722 0.72 HSD11B1 (0.62) OPRM1OPRK1OPRL1PLD1PLD2
SCHEMBL1833332 0.72 HSD11B1 (0.68) OPRM1OPRK1OPRL1SLC18A3KDM4E

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