SCHEMBL1838677

SCHEMBL1838677

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C[C@@H]1CCCN(CCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
HSD11B1 P28845 6/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
CALCRL Q16602 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3400375 0.96 OPRM1 (0.47) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1831703 0.96 OPRM1 (0.47) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1833975 0.93 OPRM1 (0.47) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3403017 0.91 OPRM1 (0.50) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1835272 0.91 OPRM1 (0.50) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3802467 0.91 HTR1A (0.47) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1837901 0.91 CHRM1 (0.49) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1837876 0.91 OPRM1 (0.50) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3666703 0.91 OPRM1 (0.51) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1836672 0.91 OPRM1 (0.44) OPRM1OPRK1OPRL1ALDH1A1KDM4E

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