SCHEMBL1834964

SCHEMBL1834964

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C(CCCN(Cc2ccccc2)Cc2cccc(OCc3ccccc3)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.40
OPRM1 P35372 4/20 0.40
ACHE P22303 1/20 0.40
HSD11B1 P28845 1/20 0.39
CHRM1 P11229 2/20 0.37
DRD2 P14416 2/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 1/20 0.36
CALCRL Q16602 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
HTR1A P08908 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
SCHEMBL1833774 0.93 OPRM1 (0.42) BCHEOPRM1ACHEHSD11B1CHRM1
SCHEMBL1835019 0.92 OPRM1 (0.49) BCHEOPRM1ACHEHSD11B1CHRM1
SCHEMBL1835267 0.90 OPRM1 (0.43) BCHEOPRM1ACHEHSD11B1CHRM1
SCHEMBL1835802 0.88 OPRM1 (0.47) BCHEOPRM1ACHECHRM1DRD2
SCHEMBL1834480 0.88 OPRM1 (0.42) BCHEOPRM1ACHEHSD11B1CHRM1
SCHEMBL1841563 0.88 OPRM1 (0.42) BCHEOPRM1ACHEHSD11B1CHRM1
SCHEMBL3665479 0.87 HSD11B1 (0.37) BCHEOPRM1ACHEHSD11B1CHRM1
SCHEMBL4789708 0.87 HSD11B1 (0.37) BCHEOPRM1ACHEHSD11B1CHRM1
SCHEMBL1838783 0.86 OPRM1 (0.47) BCHEOPRM1ACHEHSD11B1CHRM1
SCHEMBL1836258 0.85 PLD1 (0.44) BCHEOPRM1ACHEHSD11B1CHRM1

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