SCHEMBL3400380

SCHEMBL3400380

COc1ccc(CN(CCC[C@H]2CC(n3c(=O)[nH]c4ccccc43)CCN2C(=O)O)Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.54
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
PLD2 O14939 1/20 0.47
PLD1 Q13393 1/20 0.47
HSD11B1 P28845 4/20 0.47
PAX8 Q06710 2/20 0.46
CALCRL Q16602 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 2/20 0.44
OPRD1 P41143 1/20 0.44
OPRL1 P41146 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 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
SCHEMBL1838785 1.00 OPRM1 (0.54) OPRM1BCHEACHEPLD2PLD1
SCHEMBL1837992 0.96 OPRM1 (0.52) OPRM1BCHEACHEPLD2PLD1
SCHEMBL1836059 0.95 OPRM1 (0.55) OPRM1BCHEACHEPLD2PLD1
SCHEMBL1840395 0.94 OPRM1 (0.56) OPRM1BCHEACHEPLD2PLD1
SCHEMBL1835021 0.94 OPRM1 (0.56) OPRM1BCHEACHEPLD2PLD1
SCHEMBL3403017 0.93 OPRM1 (0.50) OPRM1BCHEACHEPLD2PLD1
SCHEMBL1835272 0.93 OPRM1 (0.50) OPRM1BCHEACHEPLD2PLD1
SCHEMBL3670016 0.90 OPRM1 (0.52) OPRM1BCHEACHEPLD2PLD1
SCHEMBL1838176 0.90 OPRK1 (0.50) OPRM1BCHEACHEPLD2PLD1
SCHEMBL3399651 0.90 OPRM1 (0.52) OPRM1BCHEACHEPLD2PLD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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