SCHEMBL1835882

SCHEMBL1835882

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 1/20 0.45
HSD11B1 P28845 3/20 0.43
DRD2 P14416 4/20 0.43
CHRM1 P11229 3/20 0.43
KCNH2 Q12809 2/20 0.43
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD3 P35462 3/20 0.40
DRD4 P21917 2/20 0.40
CHRM5 P08912 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 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
SCHEMBL1834967 1.00 OPRM1 (0.46) OPRM1BCHEACHEHSD11B1DRD2
SCHEMBL1838920 0.96 HSD11B1 (0.46) OPRM1BCHEACHEHSD11B1DRD2
SCHEMBL3397207 0.95 OPRM1 (0.47) OPRM1BCHEACHEHSD11B1DRD2
SCHEMBL1836451 0.93 OPRM1 (0.47) OPRM1BCHEACHEHSD11B1DRD2
SCHEMBL1833775 0.93 OPRM1 (0.47) OPRM1BCHEACHEHSD11B1DRD2
SCHEMBL1840395 0.92 OPRM1 (0.56) OPRM1BCHEACHEHSD11B1DRD2
SCHEMBL1835021 0.92 OPRM1 (0.56) OPRM1BCHEACHEHSD11B1DRD2
SCHEMBL1835272 0.91 OPRM1 (0.50) OPRM1BCHEACHEDRD2CHRM1
SCHEMBL3403017 0.91 OPRM1 (0.50) OPRM1BCHEACHEDRD2CHRM1
SCHEMBL1841441 0.90 HSD11B1 (0.47) OPRM1BCHEACHEHSD11B1DRD2

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