SCHEMBL1838993

SCHEMBL1838993

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.53
OPRK1 P41145 7/20 0.52
ALDH1A1 P00352 3/20 0.52
OPRD1 P41143 3/20 0.52
KDM4E B2RXH2 2/20 0.52
PMP22 Q01453 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CHRM2 P08172 2/20 0.52
CHRM1 P11229 2/20 0.52
MAPK1 P28482 2/20 0.52
MEN1 O00255 1/20 0.52
SLC22A2 O15244 1/20 0.52
MLNR O43193 1/20 0.52
CACNA1G O43497 1/20 0.52
CACNA1F O60840 1/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
USP1 O94782 1/20 0.52
KCNK2 O95069 1/20 0.52
CACNA1H O95180 1/20 0.52

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
SCHEMBL1837269 0.90 OPRM1 (0.54) OPRM1OPRK1ALDH1A1OPRD1KDM4E
SCHEMBL27804049 0.84 ALDH1A1 (0.58) OPRM1OPRK1ALDH1A1OPRD1KDM4E
SCHEMBL3806588 0.84 ALDH1A1 (0.51) OPRM1OPRK1ALDH1A1OPRD1KDM4E
SCHEMBL1841565 0.84 OPRM1 (0.48) OPRM1OPRK1ALDH1A1KDM4EPMP22
SCHEMBL4679193 0.83 OPRM1 (0.50) OPRM1OPRK1ALDH1A1OPRD1KDM4E
SCHEMBL27782364 0.83 OPRM1 (0.58) OPRM1OPRK1ALDH1A1OPRD1KDM4E
SCHEMBL4677796 0.82 ALDH1A1 (0.52) OPRM1OPRK1ALDH1A1OPRD1KDM4E
SCHEMBL1834834 0.82 ADRA1A (0.60) OPRM1OPRK1ALDH1A1OPRD1KDM4E
SCHEMBL3403017 0.82 OPRM1 (0.50) OPRM1OPRK1ALDH1A1OPRD1KDM4E
SCHEMBL1835272 0.82 OPRM1 (0.50) OPRM1OPRK1ALDH1A1OPRD1KDM4E

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 3 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
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed