SCHEMBL6426472

SCHEMBL6426472

N#CC1C2CN(c3ccc(N4C[C@H](CNc5ncon5)OC4=O)cc3F)CC12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.45
MAOA P21397 5/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
F10 P00742 6/20 0.42
KCNH2 Q12809 3/20 0.42

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
SCHEMBL6426468 1.00 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6338402 0.80 MAOB (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6478092 0.80 MAOA (0.70) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6337870 0.80 MAOA (0.70) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8592444 0.72 MAOB (0.71) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8592442 0.72 MAOB (0.71) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6110851 0.70 MAOA (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6338191 0.70 MAOA (0.75) MAOBMAOALMNAPTGS1CALML3
SCHEMBL18409560 0.70 MAOA (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6339543 0.70 MAOA (0.68) MAOBMAOALMNAPTGS1CALML3

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
EP-1385834-B1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO INC (US) 2005-09-14 EP disclosed