SCHEMBL8553272

SCHEMBL8553272

CCCCOC(=O)N1CCCC(CCCc2cccc3[nH]c(COc4ccc(C5=NCCS5)cc4)nc23)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.35
CHEK2 O96017 2/20 0.33
PRMT5 O14744 4/20 0.32
DGAT2 Q96PD7 1/20 0.32
P2RY12 Q9H244 2/20 0.32
PIK3CD O00329 1/20 0.32
MMP13 P45452 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL8552979 0.82 NPC1 (0.41) PIK3CD
SCHEMBL8550682 0.79 DGAT2 (0.44) CHEK2DGAT2
SCHEMBL8551914 0.78 PARP1 (0.39) CHEK2
SCHEMBL8555474 0.77 DGAT2 (0.36) DGAT2
SCHEMBL8556963 0.76 DGAT2 (0.41) PRMT5DGAT2
SCHEMBL8552606 0.76 DGAT2 (0.43) CHEK2DGAT2
SCHEMBL8555907 0.73 CHEK2 (0.43) CHEK2PRMT5DGAT2
SCHEMBL8555463 0.73 GPR119 (0.40) CHEK2PRMT5DGAT2
SCHEMBL8551701 0.73 DGAT2 (0.39) CHEK2PRMT5DGAT2HCRTR1HCRTR2
SCHEMBL8620953 0.71 DGAT2 (0.41) CHEK2DGAT2

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