SCHEMBL1833802

SCHEMBL1833802

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1CCCN(CCCOCc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
OPRM1 P35372 6/20 0.44
OPRK1 P41145 4/20 0.44
OPRL1 P41146 3/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM1 P11229 5/20 0.41
DRD2 P14416 3/20 0.41
KCNH2 Q12809 3/20 0.41
CHRM2 P08172 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM5 P08912 3/20 0.40
CHRM4 P08173 2/20 0.40
CYP2D6 P10635 2/20 0.40
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
DRD3 P35462 2/20 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
SCHEMBL1835272 0.92 OPRM1 (0.50) BCHEACHEOPRM1OPRK1OPRL1
SCHEMBL3403017 0.92 OPRM1 (0.50) BCHEACHEOPRM1OPRK1OPRL1
SCHEMBL3400375 0.90 OPRM1 (0.47) BCHEACHEOPRM1OPRK1OPRL1
SCHEMBL1831703 0.90 OPRM1 (0.47) BCHEACHEOPRM1OPRK1OPRL1
SCHEMBL1834967 0.88 OPRM1 (0.46) BCHEACHEOPRM1OPRK1OPRL1
SCHEMBL1835882 0.88 OPRM1 (0.46) BCHEACHEOPRM1OPRK1OPRL1
SCHEMBL1834994 0.87 OPRM1 (0.52) BCHEACHEOPRM1OPRK1OPRL1
SCHEMBL1838176 0.87 OPRK1 (0.50) BCHEACHEOPRM1OPRK1OPRL1
SCHEMBL1836260 0.87 OPRK1 (0.50) BCHEACHEOPRM1OPRK1OPRL1
SCHEMBL3399651 0.87 OPRM1 (0.52) BCHEACHEOPRM1OPRK1OPRL1

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