SCHEMBL8552868

SCHEMBL8552868

Cc1c(CCCC2CCCN(CCC(C)C(=O)O)C2)ccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.42
HRH3 Q9Y5N1 5/20 0.39
NPY1R P25929 10/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL8553139 0.93 DGAT2 (0.39) DGAT2HRH3NPY1RCHRNB2CHRNB4
SCHEMBL8551239 0.93 DGAT2 (0.38) DGAT2HRH3NPY1RCHRNB2CHRNB4
SCHEMBL8551499 0.89 DGAT2 (0.37) DGAT2HRH3NPY1RCHRNB2CHRNB4
SCHEMBL8552384 0.86 NPY1R (0.39) DGAT2HRH3NPY1RCHRNB2CHRNB4
SCHEMBL8556171 0.85 NPY1R (0.45) DGAT2NPY1R
SCHEMBL8557639 0.83 L3MBTL1 (0.38) DGAT2NPY1RCHRNB2CHRNB4CHRNA3
SCHEMBL8550273 0.81 RAB9A (0.42) DGAT2
SCHEMBL8555678 0.81 NPY1R (0.45) NPY1R
SCHEMBL8551574 0.80 NPY1R (0.45) NPY1R
SCHEMBL8554479 0.78 NPY1R (0.45) DGAT2NPY1R

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