SCHEMBL8554479

SCHEMBL8554479

CCOC(=O)N1CCC(CCCc2ccc3[nH]c(COc4ccc(Cl)cc4)nc3c2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 12/20 0.45
ALDH1A1 P00352 1/20 0.43
DGAT2 Q96PD7 1/20 0.41
PRMT5 O14744 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
GAA P10253 1/20 0.40
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 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
SCHEMBL8551336 0.90 GPR119 (0.47) NPY1RDGAT2PRMT5FAAH
SCHEMBL8554095 0.88 NPY1R (0.58) NPY1R
SCHEMBL8556171 0.86 NPY1R (0.45) NPY1RDGAT2
SCHEMBL8555211 0.86 GPR119 (0.45) NPY1RDGAT2PRMT5FAAH
SCHEMBL8552756 0.85 GPR119 (0.45) NPY1RDGAT2PRMT5FAAH
SCHEMBL8557780 0.84 GPR119 (0.44) NPY1RDGAT2PRMT5FAAH
SCHEMBL8552606 0.84 DGAT2 (0.43) NPY1RDGAT2HRH2HRH1LMNA
SCHEMBL8554433 0.84 NPY1R (0.47) NPY1R
SCHEMBL8554215 0.84 NPY1R (0.49) NPY1RDGAT2
SCHEMBL8551903 0.83 NPY1R (0.54) NPY1RFAAH

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