SCHEMBL8557980

SCHEMBL8557980

CCCCOC(=O)N1CCC(CCCCc2c(C)c(C)cc3[nH]c(COc4ccc(Cl)cc4)nc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 14/20 0.42
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
ENPP2 Q13822 2/20 0.39
MCL1 Q07820 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL8552622 0.82 NPY1R (0.49) NPY1R
SCHEMBL8551796 0.81 DGAT2 (0.42) NPY1RDGAT2
SCHEMBL8554479 0.80 NPY1R (0.45) NPY1RHRH2HRH1DGAT2FAAH
SCHEMBL8552606 0.79 DGAT2 (0.43) NPY1RHRH2HRH1ENPP2DGAT2
SCHEMBL8551336 0.77 GPR119 (0.47) NPY1RDGAT2FAAH
SCHEMBL8556128 0.75 RAB9A (0.46)
SCHEMBL8550720 0.75 NPY1R (0.53) NPY1R
SCHEMBL8555463 0.74 GPR119 (0.40) NPY1RDGAT2
SCHEMBL8550682 0.74 DGAT2 (0.44) NPY1RHRH2HRH1DGAT2
SCHEMBL8555784 0.73 RAB9A (0.46)

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