SCHEMBL8555023

SCHEMBL8555023

CC(C)COC(=O)N1CCCCC1CCCc1cccc2[nH]c(COc3ccc(Cl)cc3Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MRGPRX4 Q96LA9 3/20 0.33
MET P08581 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PTGER1 P34995 2/20 0.33
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NLRP1 Q9C000 1/20 0.33
HTR2A P28223 1/20 0.32

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
SCHEMBL8556902 0.81 DGAT2 (0.37) KMT2APTGDR2HCRTR1HCRTR2HTR2A
SCHEMBL8551701 0.81 DGAT2 (0.39) MAPTNPC1RAB9AHCRTR1HCRTR2
SCHEMBL8555457 0.79 DGAT2 (0.37) HCRTR1PARP1ALDH1A1GAAHTR2A
SCHEMBL8552627 0.78 POLB (0.37) HTR2A
SCHEMBL8555474 0.76 DGAT2 (0.36) NPC1PARP1
Trifluoroacetic Acid SCHEMBL8553079 0.74 NPC1 (0.38) NPC1RAB9AMRGPRX4
SCHEMBL8551439 0.73 NPY1R (0.42) NPC1RAB9A
SCHEMBL8552790 0.71 DGAT2 (0.40) ALDH1A1HPGD
SCHEMBL8620953 0.68 DGAT2 (0.41) HTR2A
SCHEMBL7691235 0.64 TP53 (0.40) KMT2AMEN1MAPTSIGMAR1RAB9A

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-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed