SCHEMBL8557639

SCHEMBL8557639

CCOC(=O)C(CCc1ccccc1)CN1CCCC(CCCc2ccc3[nH]c(COc4ccc(Cl)cc4)nc3c2C)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
NPY1R P25929 8/20 0.37
DGAT2 Q96PD7 1/20 0.37
BCHE P06276 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37
LTA4H P09960 2/20 0.35
EPHX2 P34913 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHEK2 O96017 2/20 0.34
PRMT5 O14744 1/20 0.34

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
SCHEMBL8552384 0.92 NPY1R (0.39) L3MBTL1NPY1RDGAT2BCHEMAOA
SCHEMBL8553139 0.86 DGAT2 (0.39) NPY1RDGAT2CHRNB2CHRNB4CHRNA3
SCHEMBL8552868 0.83 DGAT2 (0.42) NPY1RDGAT2CHRNB2CHRNB4CHRNA3
SCHEMBL8551239 0.83 DGAT2 (0.38) NPY1RDGAT2CHRNB2CHRNB4CHRNA3
SCHEMBL8551499 0.81 DGAT2 (0.37) NPY1RDGAT2CHRNB2CHRNB4CHRNA3
SCHEMBL8554547 0.81 RAB9A (0.41) L3MBTL1EPHX2PRMT5
SCHEMBL8555678 0.80 NPY1R (0.45) NPY1RBCHEMAOAACHEMAOB
SCHEMBL8551322 0.79 NPY1R (0.57) NPY1R
SCHEMBL8556171 0.79 NPY1R (0.45) NPY1RDGAT2BCHEMAOAACHE
SCHEMBL8551903 0.79 NPY1R (0.54) NPY1RBCHEMAOAACHEMAOB

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