SCHEMBL1838176

SCHEMBL1838176

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.50
HTR1A P08908 3/20 0.50
CHRM1 P11229 3/20 0.50
DRD2 P14416 3/20 0.50
HTR2A P28223 3/20 0.50
DRD3 P35462 3/20 0.50
KCNH2 Q12809 3/20 0.50
CYP2D6 P10635 3/20 0.50
MLNR O43193 2/20 0.50
LMNA P02545 2/20 0.50
PGR P06401 2/20 0.50
ADRB2 P07550 2/20 0.50
CHRM2 P08172 2/20 0.50
ADRB1 P08588 2/20 0.50
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
DRD1 P21728 2/20 0.50
DRD4 P21917 2/20 0.50
SLC6A2 P23975 2/20 0.50

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
SCHEMBL1836260 1.00 OPRK1 (0.50) OPRK1HTR1ACHRM1DRD2HTR2A
SCHEMBL1837901 0.96 CHRM1 (0.49) OPRK1HTR1ACHRM1DRD2HTR2A
SCHEMBL3802467 0.96 HTR1A (0.47) OPRK1HTR1ACHRM1DRD2HTR2A
SCHEMBL1836591 0.95 PLD1 (0.51) OPRK1HTR1ACHRM1DRD2HTR2A
SCHEMBL1835272 0.95 OPRM1 (0.50) OPRK1HTR1ACHRM1DRD2HTR2A
SCHEMBL3403017 0.95 OPRM1 (0.50) OPRK1HTR1ACHRM1DRD2HTR2A
SCHEMBL1834994 0.92 OPRM1 (0.52) OPRK1HTR1ACHRM1DRD2HTR2A
SCHEMBL3399651 0.92 OPRM1 (0.52) OPRK1HTR1ACHRM1DRD2HTR2A
SCHEMBL3806539 0.90 OPRM1 (0.50) OPRK1HTR1ACHRM1DRD2HTR2A
SCHEMBL1831703 0.90 OPRM1 (0.47) OPRK1HTR1ACHRM1DRD2HTR2A

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