SCHEMBL6509813

SCHEMBL6509813

CC(=O)NC[C@H]1CN(c2ccc3c(c2)OCC(=NOCCF)N3C)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.53
MAOA P21397 5/20 0.51
MAOB P27338 3/20 0.51
PTGS1 P23219 2/20 0.51
SDHA P31040 2/20 0.51
LMNA P02545 1/20 0.51
CALML3 P27482 1/20 0.51

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
SCHEMBL6506807 0.94 F10 (0.54) F10MAOAMAOBPTGS1SDHA
SCHEMBL6511697 0.92 F10 (0.55) F10MAOAMAOBPTGS1SDHA
SCHEMBL6532429 0.91 F10 (0.55) F10MAOAMAOBPTGS1SDHA
SCHEMBL6532433 0.91 F10 (0.55) F10MAOAMAOBPTGS1SDHA
SCHEMBL6513383 0.91 F10 (0.52) F10MAOAMAOBPTGS1SDHA
SCHEMBL6531052 0.89 F10 (0.57) F10MAOAMAOBPTGS1SDHA
SCHEMBL6508292 0.89 F10 (0.57) F10MAOAMAOBPTGS1SDHA
SCHEMBL6511470 0.87 F10 (0.49) F10MAOAMAOBPTGS1SDHA
SCHEMBL6530361 0.87 F10 (0.55) F10MAOAMAOBPTGS1SDHA
SCHEMBL6530364 0.87 F10 (0.55) F10MAOAMAOBPTGS1SDHA

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
WO-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO claimed
WO-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed