SCHEMBL1835328

SCHEMBL1835328

Cn1c(CN(CCCC2CN(C(=O)O)CCC2n2c(=O)[nH]c3ccccc32)Cc2ccccc2)cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
HSD11B1 P28845 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PLD1 Q13393 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PLD2 O14939 2/20 0.35
TNKS O95271 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 0.90 OPRM1 (0.43) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1834480 0.88 OPRM1 (0.42) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1841563 0.88 OPRM1 (0.42) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1836258 0.85 PLD1 (0.44) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1834992 0.85 OPRM1 (0.46) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1831701 0.85 OPRM1 (0.41) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1840496 0.85 CALCRL (0.42) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1838783 0.85 OPRM1 (0.47) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1835802 0.85 OPRM1 (0.47) BCHEACHEPMP22OPRM1OPRK1
SCHEMBL1835019 0.84 OPRM1 (0.49) 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