SCHEMBL1835802

SCHEMBL1835802

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C(CCCN(Cc2ccccc2)Cc2cccc(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.47
CHRM1 P11229 3/20 0.44
AVPR1A P37288 2/20 0.41
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 1/20 0.40
OPRK1 P41145 3/20 0.40
OPRL1 P41146 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
CYP3A4 P08684 2/20 0.39
HTR1A P08908 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
SLC6A2 P23975 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
MEN1 O00255 1/20 0.39
SLC22A2 O15244 1/20 0.39
NR1I2 O75469 1/20 0.39

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
SCHEMBL1834992 0.93 OPRM1 (0.46) OPRM1CHRM1AVPR1AUSP2CYP1A2
SCHEMBL1835267 0.93 OPRM1 (0.43) OPRM1CHRM1OPRK1OPRL1CYP3A4
SCHEMBL1841563 0.90 OPRM1 (0.42) OPRM1CHRM1OPRK1OPRL1CYP3A4
SCHEMBL1834480 0.90 OPRM1 (0.42) OPRM1CHRM1OPRK1OPRL1CYP3A4
SCHEMBL1833774 0.89 OPRM1 (0.42) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL1835019 0.89 OPRM1 (0.49) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL1836258 0.88 PLD1 (0.44) OPRM1CHRM1AVPR1AUSP2CYP1A2
SCHEMBL1834964 0.88 BCHE (0.40) OPRM1CHRM1AVPR1AOPRK1OPRL1
SCHEMBL1831701 0.88 OPRM1 (0.41) OPRM1CHRM1OPRK1OPRL1CYP3A4
SCHEMBL1835181 0.87 HPGDS (0.38) OPRM1CHRM1OPRK1OPRL1DRD2

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