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Acetamide

Acetamide

SCHEMBL3832483

CC(=O)NN1CCN(c2nc(-c3c(C)cccc3C)nc(C)c2COc2cc(C(C)C)ccc2C)[C@@H](C)C1.CC(N)=O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 9/20 0.43
▸ BCHE P06276 9/20 0.35
▸ ACHE P22303 9/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL62326 0.86 C5AR1 (0.50) C5AR1BCHEACHEL3MBTL1
SCHEMBL62063 0.86 C5AR1 (0.50) C5AR1BCHEACHEL3MBTL1
SCHEMBL72945 0.83 C5AR1 (0.60) C5AR1BCHEACHEL3MBTL1
SCHEMBL62198 0.83 C5AR1 (0.60) C5AR1BCHEACHEL3MBTL1
SCHEMBL62072 0.79 C5AR1 (0.54) C5AR1BCHEACHE
SCHEMBL62140 0.79 C5AR1 (0.54) C5AR1BCHEACHE
SCHEMBL62510 0.78 C5AR1 (0.39) C5AR1BCHEACHEL3MBTL1
SCHEMBL61416 0.76 C5AR1 (0.44) C5AR1BCHEACHEL3MBTL1
SCHEMBL73221 0.76 C5AR1 (0.52) C5AR1BCHEACHEL3MBTL1
SCHEMBL63920 0.76 C5AR1 (0.52) C5AR1BCHEACHEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745033-A4 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORP (US) 2009-08-26 — — EP claimed
EP-1745033-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2007-01-24 — — EP claimed
WO-2005110416-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2005-11-24 — — WO claimed