SCHEMBL6530635

SCHEMBL6530635

CON=C1N(C)c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2C1(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.53
MAOB P27338 3/20 0.53
PTGS1 P23219 2/20 0.53
SDHA P31040 2/20 0.53
LMNA P02545 1/20 0.53
CALML3 P27482 1/20 0.53
F10 P00742 5/20 0.43
NQO2 P16083 1/20 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
SCHEMBL6530638 1.00 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6528613 0.90 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6530878 0.90 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6528609 0.90 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
Lithium Ion SCHEMBL6531166 0.86 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6529220 0.83 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6529223 0.83 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6533407 0.82 MAOB (0.45) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6533404 0.82 MAOB (0.45) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6531171 0.80 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA

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