SCHEMBL6515803

SCHEMBL6515803

CCON=c1sc2cc(N3C[C@H](CNC(=O)OC(C)(C)C)OC3=O)ccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.45
MAOB P27338 4/20 0.43
MAOA P21397 2/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 1/20 0.43
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL6515805 1.00 F10 (0.45) F10MAOBMAOALMNAPTGS1
Lithium Ion SCHEMBL6514865 0.97 F10 (0.43) F10MAOBMAOALMNAPTGS1
SCHEMBL6511927 0.92 F10 (0.45) F10MAOBMAOALMNAPTGS1
SCHEMBL6511928 0.92 F10 (0.45) F10MAOBMAOALMNAPTGS1
SCHEMBL6508339 0.92 F10 (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL6508341 0.92 F10 (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL6532575 0.89 MAOA (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL6532578 0.89 MAOA (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL6532583 0.89 MAOA (0.52) F10MAOBMAOALMNAPTGS1
Lithium Ion SCHEMBL6508363 0.89 F10 (0.44) F10MAOBMAOALMNAPTGS1

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
WO-2005082900-A2 OXAZOLIDINONE AMIDOXIMES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed