SCHEMBL8555907

SCHEMBL8555907

CCCCOC(=O)N1CCCC(CCCc2ccc3[nH]c(COc4ccc(Cl)cc4)nc3c2OCC2CCCN(C(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.43
DGAT2 Q96PD7 1/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
CYP2C9 P11712 1/20 0.37
PRMT5 O14744 3/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
GPR119 Q8TDV5 5/20 0.34
BACE1 P56817 2/20 0.34
CTSD P07339 1/20 0.34
PARP1 P09874 1/20 0.34
HTR6 P50406 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
SCHEMBL8555463 0.94 GPR119 (0.40) CHEK2DGAT2CYP2C9PRMT5GPR119
SCHEMBL8555848 0.88 DGAT2 (0.39) CHEK2DGAT2ALOX5APFEN1CYP2C9
SCHEMBL8556963 0.88 DGAT2 (0.41) DGAT2PRMT5
SCHEMBL8552592 0.87 GPR119 (0.39) CHEK2DGAT2CYP2C9PRMT5GPR119
SCHEMBL8550682 0.87 DGAT2 (0.44) CHEK2DGAT2
SCHEMBL7686453 0.86 DGAT2 (0.44) CHEK2DGAT2CYP2C9PRMT5FNTA
SCHEMBL8552606 0.86 DGAT2 (0.43) CHEK2DGAT2
Trifluoroacetic Acid SCHEMBL8552693 0.83 CHEK2 (0.40) CHEK2DGAT2ALOX5APFEN1PRMT5
SCHEMBL8557780 0.83 GPR119 (0.44) CHEK2DGAT2PRMT5GPR119
SCHEMBL8553086 0.81 GPR119 (0.44) CHEK2DGAT2PRMT5GPR119

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