SCHEMBL6423241

SCHEMBL6423241

CC(=O)NC[C@H]1CN(c2ccc(N3CC4C(C=NOCC#N)C4C3)c(F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.61
MAOB P27338 5/20 0.61
PTGS1 P23219 2/20 0.61
SDHA P31040 2/20 0.61
LMNA P02545 1/20 0.61
CALML3 P27482 1/20 0.61
F10 P00742 4/20 0.46

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
SCHEMBL6339057 0.90 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6345949 0.89 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6338326 0.89 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6337693 0.88 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6337551 0.87 MAOA (0.68) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6338406 0.87 MAOA (0.68) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6338849 0.87 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6336326 0.85 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6339174 0.85 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6343895 0.85 MAOA (0.60) 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
EP-1385834-B1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO INC (US) 2005-09-14 EP claimed