SCHEMBL8553139

SCHEMBL8553139

CCOC(=O)C(C)CCN1CCCC(CCCc2ccc3[nH]c(COc4ccc(Cl)cc4)nc3c2C)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.39
NPY1R P25929 12/20 0.38
HRH3 Q9Y5N1 5/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HRH4 Q9H3N8 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
SCHEMBL8552868 0.93 DGAT2 (0.42) DGAT2NPY1RHRH3CHRNB2CHRNB4
SCHEMBL8556171 0.92 NPY1R (0.45) DGAT2NPY1R
SCHEMBL8551239 0.90 DGAT2 (0.38) DGAT2NPY1RHRH3CHRNB2CHRNB4
SCHEMBL8552384 0.89 NPY1R (0.39) DGAT2NPY1RHRH3CHRNB2CHRNB4
SCHEMBL8551499 0.86 DGAT2 (0.37) DGAT2NPY1RHRH3CHRNB2CHRNB4
SCHEMBL8557639 0.86 L3MBTL1 (0.38) DGAT2NPY1RCHRNB2CHRNB4CHRNA3
SCHEMBL8553401 0.82 RAB9A (0.41) DGAT2
SCHEMBL8554479 0.82 NPY1R (0.45) DGAT2NPY1R
SCHEMBL8554095 0.81 NPY1R (0.58) NPY1R
SCHEMBL8552606 0.80 DGAT2 (0.43) DGAT2NPY1RHRH3HRH4

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