SCHEMBL3403286

SCHEMBL3403286

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C(CCCN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.39
OPRK1 P41145 3/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
OPRL1 P41146 2/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CALCRL Q16602 1/20 0.36
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD2 P14416 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1835267 0.92 OPRM1 (0.43) OPRM1OPRK1BCHEACHEOPRL1
SCHEMBL1841563 0.90 OPRM1 (0.42) OPRM1OPRK1BCHEACHEOPRL1
SCHEMBL1834480 0.90 OPRM1 (0.42) OPRM1OPRK1BCHEACHEOPRL1
SCHEMBL1836258 0.89 PLD1 (0.44) OPRM1OPRK1BCHEACHEOPRL1
SCHEMBL1834992 0.89 OPRM1 (0.46) OPRM1OPRK1BCHEACHEOPRL1
SCHEMBL1831701 0.87 OPRM1 (0.41) OPRM1OPRK1BCHEACHEOPRL1
SCHEMBL3804674 0.87 OPRM1 (0.41) OPRM1OPRK1BCHEACHEOPRL1
SCHEMBL1838783 0.87 OPRM1 (0.47) OPRM1OPRK1BCHEACHEOPRL1
SCHEMBL1837578 0.86 OPRM1 (0.38) OPRM1OPRK1BCHEACHEOPRL1
SCHEMBL1834570 0.85 CYP3A4 (0.41) OPRM1OPRK1BCHEACHEOPRL1

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-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 disclosed
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 disclosed