SCHEMBL1837578

SCHEMBL1837578

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C(CCCN(Cc2ccccc2)Cc2ccoc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PLD2 O14939 1/20 0.37
PLD1 Q13393 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CALCRL Q16602 1/20 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
HSD11B1 P28845 2/20 0.36
MAPK1 P28482 2/20 0.35
TSHR P16473 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 0.93 OPRM1 (0.43) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1834480 0.91 OPRM1 (0.42) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1841563 0.91 OPRM1 (0.42) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1836258 0.89 PLD1 (0.44) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1834992 0.89 OPRM1 (0.46) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1831701 0.89 OPRM1 (0.41) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1835181 0.88 HPGDS (0.38) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1835802 0.87 OPRM1 (0.47) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1838783 0.87 OPRM1 (0.47) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1834570 0.87 CYP3A4 (0.41) OPRM1OPRK1OPRL1BCHEACHE

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