SCHEMBL8556902

SCHEMBL8556902

COc1cc(CCCC2CCCCN2C(=O)OCC(C)C)c2nc(COc3ccc(Cl)cc3)[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.37
POLB P06746 1/20 0.37
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
CHEK2 O96017 4/20 0.34
HTR2A P28223 1/20 0.33
LTA4H P09960 4/20 0.33
FFAR1 O14842 1/20 0.33
KMT2A Q03164 1/20 0.33
PRMT5 O14744 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL8555457 0.87 DGAT2 (0.37) DGAT2POLBHCRTR1CHEK2HTR2A
SCHEMBL8552627 0.87 POLB (0.37) DGAT2POLBCHEK2HTR2ALTA4H
SCHEMBL8555023 0.81 KMT2A (0.35) HCRTR1HCRTR2HTR2AKMT2APTGDR2
SCHEMBL8551701 0.80 DGAT2 (0.39) DGAT2POLBHCRTR1HCRTR2CHEK2
SCHEMBL8620953 0.78 DGAT2 (0.41) DGAT2CHEK2HTR2A
SCHEMBL8553363 0.74 NPY1R (0.48)
SCHEMBL8551796 0.73 DGAT2 (0.42) DGAT2CHEK2
SCHEMBL8555474 0.70 DGAT2 (0.36) DGAT2
SCHEMBL8551675 0.68 CHEK2 (0.44) CHEK2PRMT5
SCHEMBL8555848 0.68 DGAT2 (0.39) DGAT2CHEK2PRMT5

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