SCHEMBL3430703

SCHEMBL3430703

CC(=O)NC[C@@H]1CN(c2ccc(OCc3cccc(COC4COc5nc([N+](=O)[O-])cn5C4)c3)c(F)c2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
MAOA P21397 5/20 0.43
MAOB P27338 2/20 0.43
PTGS1 P23219 2/20 0.43
SDHA P31040 2/20 0.43
LMNA P02545 1/20 0.43
CALML3 P27482 1/20 0.43
TOP2B Q02880 1/20 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
SCHEMBL3208267 1.00 CHRM1 (0.44) CHRM1MAOAMAOBPTGS1SDHA
SCHEMBL3208273 1.00 CHRM1 (0.44) CHRM1MAOAMAOBPTGS1SDHA
SCHEMBL3209762 0.95 CHRM1 (0.49) CHRM1MAOAMAOBPTGS1SDHA
SCHEMBL3209760 0.95 CHRM1 (0.49) CHRM1MAOAMAOBPTGS1SDHA
SCHEMBL15642954 0.90 CALML3 (0.48) CHRM1MAOAMAOBPTGS1SDHA
SCHEMBL13484640 0.90 CALML3 (0.48) CHRM1MAOAMAOBPTGS1SDHA
SCHEMBL3196643 0.89 CHRM1 (0.52) CHRM1MAOAMAOBPTGS1SDHA
SCHEMBL3193980 0.89 CHRM1 (0.52) CHRM1MAOAMAOBPTGS1SDHA
SCHEMBL3206370 0.88 CHRM1 (0.45) CHRM1MAOAMAOBPTGS1SDHA
SCHEMBL3206365 0.88 CHRM1 (0.45) CHRM1MAOAMAOBPTGS1SDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254892-A1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES Global Alliance For Tb Drug Development (US) 2010-12-01 EP claimed
WO-2009120789-A1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2009-10-01 WO claimed