SCHEMBL1836591

SCHEMBL1836591

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1CCN(Cc1ccccc1)Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 4/20 0.51
PLD2 O14939 4/20 0.51
OPRK1 P41145 3/20 0.49
HTR1A P08908 3/20 0.49
CHRM1 P11229 3/20 0.49
DRD2 P14416 3/20 0.49
HTR2A P28223 3/20 0.49
DRD3 P35462 3/20 0.49
KCNH2 Q12809 3/20 0.49
MLNR O43193 2/20 0.49
LMNA P02545 2/20 0.49
PGR P06401 2/20 0.49
ADRB2 P07550 2/20 0.49
CHRM2 P08172 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRA2A P08913 2/20 0.49
CYP2D6 P10635 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
DRD1 P21728 2/20 0.49

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 0.95 OPRK1 (0.50) PLD1PLD2OPRK1HTR1ACHRM1
SCHEMBL1838176 0.95 OPRK1 (0.50) PLD1PLD2OPRK1HTR1ACHRM1
SCHEMBL1833681 0.95 OPRM1 (0.52) PLD1PLD2OPRK1OPRM1OPRL1
SCHEMBL1831378 0.92 OPRM1 (0.53) PLD1PLD2OPRK1OPRM1OPRL1
SCHEMBL1839222 0.92 OPRM1 (0.54) PLD1PLD2OPRK1HTR1ACHRM1
SCHEMBL1837901 0.91 CHRM1 (0.49) PLD1PLD2OPRK1HTR1ACHRM1
SCHEMBL3802467 0.91 HTR1A (0.47) PLD1PLD2OPRK1HTR1ACHRM1
SCHEMBL1832412 0.91 HSD11B1 (0.46) PLD1PLD2OPRK1HTR1ACHRM1
SCHEMBL1839287 0.91 CYP3A4 (0.51) PLD1PLD2OPRK1OPRM1OPRL1
SCHEMBL1835272 0.90 OPRM1 (0.50) PLD1PLD2OPRK1HTR1ACHRM1

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 4 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
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 claimed
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 claimed