SCHEMBL1836258

SCHEMBL1836258

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C(CCCN(Cc2ccccc2)Cc2ccc(F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 4/20 0.44
PLD2 O14939 3/20 0.44
CYP2D6 P10635 3/20 0.43
HTR1A P08908 3/20 0.43
CHRM1 P11229 3/20 0.43
DRD2 P14416 3/20 0.43
HTR2A P28223 3/20 0.43
DRD3 P35462 3/20 0.43
KCNH2 Q12809 3/20 0.43
OPRK1 P41145 3/20 0.43
PMP22 Q01453 3/20 0.43
OPRM1 P35372 3/20 0.43
MLNR O43193 2/20 0.43
LMNA P02545 2/20 0.43
PGR P06401 2/20 0.43
ADRB2 P07550 2/20 0.43
CHRM2 P08172 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43

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
SCHEMBL1835267 0.95 OPRM1 (0.43) CHRM1OPRK1PMP22OPRM1CHRM2
SCHEMBL1841563 0.92 OPRM1 (0.42) CHRM1OPRK1PMP22OPRM1CHRM2
SCHEMBL1834480 0.92 OPRM1 (0.42) CHRM1OPRK1PMP22OPRM1CHRM2
SCHEMBL1834992 0.92 OPRM1 (0.46) PLD1PLD2CYP2D6HTR1ACHRM1
SCHEMBL1831701 0.90 OPRM1 (0.41) CHRM1OPRK1PMP22OPRM1CHRM2
SCHEMBL1838783 0.90 OPRM1 (0.47) PLD1PLD2CHRM1DRD2DRD3
SCHEMBL3403286 0.89 OPRM1 (0.39) CHRM1DRD2OPRK1PMP22OPRM1
SCHEMBL1837578 0.89 OPRM1 (0.38) PLD1PLD2CHRM1DRD2DRD3
SCHEMBL1834570 0.88 CYP3A4 (0.41) OPRK1PMP22OPRM1CYP3A4KDM4E
SCHEMBL1835802 0.88 OPRM1 (0.47) PLD1PLD2CYP2D6HTR1ACHRM1

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