SCHEMBL8031353

SCHEMBL8031353

CC(=O)NCC1CN(c2ccc(N3CC4CN(C(=O)COC(C)=O)C4C3)c(F)c2)C(=O)O1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.62
MAOB P27338 5/20 0.62
PTGS1 P23219 2/20 0.62
SDHA P31040 2/20 0.62
LMNA P02545 1/20 0.62
CALML3 P27482 1/20 0.62
F10 P00742 3/20 0.47

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
SCHEMBL8031357 1.00 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8031348 1.00 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8562315 0.92 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7834224 0.92 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8562312 0.92 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7821829 0.92 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7821825 0.92 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7821819 0.92 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7822398 0.92 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7833361 0.90 MAOA (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090820-A MICROBIOCIDES, BATERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-07-18 US disclosed
EP-0828741-A1 SPIROCYCLIC AND BICYCLIC DIAZINYL AND CARBAZINYL OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1998-03-18 EP disclosed
WO-1996035691-A1 SPIROCYCLIC AND BICYCLIC DIAZINYL AND CARBAZINYL OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO disclosed