SCHEMBL1834832

SCHEMBL1834832

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1CCN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
CHRM1 P11229 3/20 0.45
DRD2 P14416 2/20 0.45
KCNH2 Q12809 2/20 0.45
OPRM1 P35372 10/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CHRM5 P08912 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
KDM4E B2RXH2 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD11B1 P28845 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL3397207 0.94 OPRM1 (0.47) BCHEACHECHRM1DRD2KCNH2
SCHEMBL1833681 0.92 OPRM1 (0.52) BCHEACHEOPRM1OPRK1OPRL1
SCHEMBL1836059 0.91 OPRM1 (0.55) BCHEACHEDRD2OPRM1OPRK1
SCHEMBL1838940 0.90 OPRM1 (0.42) BCHEACHECHRM1DRD2KCNH2
SCHEMBL1835882 0.89 OPRM1 (0.46) BCHEACHECHRM1DRD2KCNH2
SCHEMBL1834967 0.89 OPRM1 (0.46) BCHEACHECHRM1DRD2KCNH2
SCHEMBL1839222 0.89 OPRM1 (0.54) BCHEACHECHRM1DRD2KCNH2
SCHEMBL1836591 0.89 PLD1 (0.51) BCHEACHECHRM1DRD2KCNH2
SCHEMBL1831378 0.89 OPRM1 (0.53) BCHEACHEOPRM1OPRK1OPRL1
SCHEMBL1836437 0.88 OPRM1 (0.49) BCHEACHECHRM1DRD2KCNH2

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