SCHEMBL1836437

SCHEMBL1836437

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1CCN(Cc1ccccc1)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.49
HSD11B1 P28845 4/20 0.46
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CHRM1 P11229 4/20 0.44
DRD2 P14416 2/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
PLD2 O14939 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
SCHEMBL1833775 0.95 OPRM1 (0.47) OPRM1HSD11B1OPRK1OPRL1BCHE
SCHEMBL1836451 0.95 OPRM1 (0.47) OPRM1HSD11B1OPRK1OPRL1BCHE
SCHEMBL1835710 0.94 OPRM1 (0.58) OPRM1HSD11B1OPRK1OPRL1BCHE
SCHEMBL3397207 0.93 OPRM1 (0.47) OPRM1HSD11B1OPRK1OPRL1BCHE
SCHEMBL1833681 0.93 OPRM1 (0.52) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1841441 0.92 HSD11B1 (0.47) OPRM1HSD11B1OPRK1OPRL1BCHE
SCHEMBL1835997 0.90 OPRM1 (0.55) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1835021 0.89 OPRM1 (0.56) OPRM1HSD11B1OPRK1OPRL1BCHE
SCHEMBL1840395 0.89 OPRM1 (0.56) OPRM1HSD11B1OPRK1OPRL1BCHE
SCHEMBL1836059 0.89 OPRM1 (0.55) OPRM1HSD11B1OPRK1OPRL1BCHE

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 4 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-2160098-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS Commissariat a L'Energie Atomique (FR) 2010-03-10 EP claimed
WO-2008146174-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO claimed