SCHEMBL1838940

SCHEMBL1838940

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1CCN(Cc1ccccc1)Cc1ccccc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.42
OPRL1 P41146 2/20 0.42
OPRK1 P41145 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
DRD2 P14416 3/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
CHRM1 P11229 3/20 0.40
KCNH2 Q12809 2/20 0.40
PLD1 Q13393 3/20 0.39
PLD2 O14939 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL1838186 0.92 DRD2 (0.47) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1834832 0.90 BCHE (0.51) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1833681 0.90 OPRM1 (0.52) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL3397207 0.89 OPRM1 (0.47) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1836591 0.86 PLD1 (0.51) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL3806376 0.86 CYP3A4 (0.44) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1839287 0.86 CYP3A4 (0.51) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1831378 0.85 OPRM1 (0.53) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1839222 0.85 OPRM1 (0.54) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL3403017 0.85 OPRM1 (0.50) OPRM1OPRL1OPRK1BCHEACHE

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