SCHEMBL3802467

SCHEMBL3802467

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C[C@@H]1CCCN(CCCc1ccccc1)Cc1ccccc1.O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.47
CHRM1 P11229 3/20 0.47
DRD2 P14416 3/20 0.47
HTR2A P28223 3/20 0.47
DRD3 P35462 3/20 0.47
OPRK1 P41145 3/20 0.47
KCNH2 Q12809 3/20 0.47
CYP2D6 P10635 3/20 0.47
MLNR O43193 2/20 0.47
LMNA P02545 2/20 0.47
PGR P06401 2/20 0.47
ADRB2 P07550 2/20 0.47
CHRM2 P08172 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
SLC6A2 P23975 2/20 0.47

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 0.96 OPRK1 (0.50) HTR1ACHRM1DRD2HTR2ADRD3
SCHEMBL1838176 0.96 OPRK1 (0.50) HTR1ACHRM1DRD2HTR2ADRD3
SCHEMBL1831703 0.94 OPRM1 (0.47) HTR1ACHRM1DRD2HTR2ADRD3
SCHEMBL3400375 0.94 OPRM1 (0.47) HTR1ACHRM1DRD2HTR2ADRD3
SCHEMBL1837901 0.92 CHRM1 (0.49) HTR1ACHRM1DRD2HTR2ADRD3
SCHEMBL1833975 0.91 OPRM1 (0.47) HTR1ACHRM1DRD2HTR2ADRD3
SCHEMBL1836591 0.91 PLD1 (0.51) HTR1ACHRM1DRD2HTR2ADRD3
SCHEMBL3403017 0.91 OPRM1 (0.50) HTR1ACHRM1DRD2HTR2ADRD3
SCHEMBL1835272 0.91 OPRM1 (0.50) HTR1ACHRM1DRD2HTR2ADRD3
SCHEMBL1838677 0.91 OPRM1 (0.46) CHRM1OPRK1CHRM2CHRM3OPRM1

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-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS Commissariat a L'Energie Atomique (FR) 2010-03-10 EP disclosed
WO-2008146174-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO disclosed