SCHEMBL8238972

SCHEMBL8238972

COCC(=O)Nc1cccc(C2(C3CCN(C(=O)c4ccc(C(=O)OC)cc4)CC3)N=C(N)NC2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.55
BACE2 Q9Y5Z0 8/20 0.55
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
MGLL Q99685 1/20 0.37
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
APP P05067 1/20 0.35
CTSD P07339 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
SCHEMBL8228815 0.94 BACE1 (0.55) BACE1BACE2L3MBTL1GAAMGLL
SCHEMBL8234677 0.94 BACE1 (0.55) BACE1BACE2L3MBTL1GAAMGLL
SCHEMBL5146664 0.87 BACE1 (0.74) BACE1BACE2GAAAPPCTSD
SCHEMBL14422949 0.81 BACE1 (0.74) BACE1BACE2GAAAPPCTSD
SCHEMBL5147714 0.81 BACE1 (0.74) BACE1BACE2GAAAPPCTSD
SCHEMBL4759401 0.80 BACE1 (0.76) BACE1BACE2APPCTSD
SCHEMBL5146668 0.80 BACE1 (0.73) BACE1BACE2GAAAPPCTSD
SCHEMBL5146654 0.79 BACE1 (0.72) BACE1BACE2APPCTSD
SCHEMBL5167106 0.76 BACE1 (0.66) BACE1BACE2L3MBTL1GAAALDH1A1
SCHEMBL4707008 0.71 BACE1 (0.84) BACE1BACE2APPCTSD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007078813-A2 2-AMINO-5-PIPERIDINYLIMIDAZOLONE COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-07-12 WO disclosed