SCHEMBL8555474

SCHEMBL8555474

CC(C)COC(=O)N1CCCC(CCCc2cccc3[nH]c(COc4cc(Cl)cc(Cl)c4)nc23)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 2/20 0.36
NPC1 O15118 2/20 0.34
AKR1C3 P42330 1/20 0.34
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
NPY1R P25929 3/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
PARP1 P09874 1/20 0.33
CYP2C9 P11712 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ENPP2 Q13822 1/20 0.32
BCL9 O00512 2/20 0.32
CTNNB1 P35222 2/20 0.32
NR2F2 P24468 1/20 0.32
FAAH O00519 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
SCHEMBL8552790 0.87 DGAT2 (0.40) DGAT2AKR1C3PPARGPPARAJAK2
SCHEMBL8620953 0.86 DGAT2 (0.41) DGAT2PPARGPPARANPY1RJAK2
SCHEMBL8551796 0.82 DGAT2 (0.42) DGAT2PPARGPPARANPY1RJAK2
SCHEMBL8555848 0.80 DGAT2 (0.39) DGAT2CYP2C9FNTAFNTB
SCHEMBL8552592 0.79 GPR119 (0.39) DGAT2NPY1RCYP2C9
SCHEMBL8552979 0.79 NPC1 (0.41) NPC1PPARGPPARAFAAH
SCHEMBL8552642 0.78 DGAT2 (0.41) DGAT2PPARGPPARA
SCHEMBL8553272 0.77 MGLL (0.35) DGAT2
SCHEMBL8550682 0.76 DGAT2 (0.44) DGAT2NPY1R
SCHEMBL8555023 0.76 KMT2A (0.35) NPC1PARP1

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