SCHEMBL4734641

SCHEMBL4734641

CC(=O)OC1(N)NC(c2cccc(-c3cnccc3C(F)(F)F)c2)(c2ccc3c(c2)CCCO3)C(=O)N1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.41
BACE1 P56817 4/20 0.41
BACE2 Q9Y5Z0 4/20 0.41
CYP11B2 P19099 3/20 0.36
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
ABL1 P00519 1/20 0.32
CYP1A2 P05177 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
HTR2B P41595 1/20 0.30
DHODH Q02127 1/20 0.30

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
Acetic Acid SCHEMBL4734635 0.80 BACE1 (0.63) CTSDBACE1BACE2
SCHEMBL4520922 0.78 GSK3A (0.31) BACE1
SCHEMBL8189766 0.74 BACE1 (0.73) CTSDBACE1BACE2
Hydrochloric Acid SCHEMBL4736072 0.74 BACE1 (0.72) CTSDBACE1BACE2
SCHEMBL4736296 0.73 BACE1 (0.42) CTSDBACE1BACE2
SCHEMBL4876305 0.70 BACE1 (0.43) CTSDBACE1BACE2CYP11B2
SCHEMBL4227394 0.70 SCN9A (0.39) BACE1
SCHEMBL4738814 0.69 BACE1 (0.32) CTSDBACE1BACE2
SCHEMBL4240278 0.68 BACE1 (0.46) CTSDBACE1BACE2
SCHEMBL4524491 0.67 HDAC4 (0.39) CYP11B2

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-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO claimed