SCHEMBL5838129

SCHEMBL5838129

CN(C(=O)O)[C@@H]1CN(c2ccc(N3C=CC(=O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.42
MAOB P27338 9/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42
F10 P00742 9/20 0.38

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
SCHEMBL5472893 0.81 MAOB (0.62) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3046131 0.81 MAOA (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6506664 0.80 F10 (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5838128 0.80 MAOB (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3038659 0.80 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6767666 0.79 MAOB (0.40) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5837500 0.79 CALML3 (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5837497 0.79 CALML3 (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6335209 0.78 MAOA (0.40) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL17034000 0.78 MAOB (0.51) MAOAMAOBLMNAPTGS1CALML3

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
US-7105547-B2 Antimicrobial 1-aryl dihydropyridone compounds PHARMACIA AND UPJOHN COMPANY (US) 2006-09-12 US disclosed