SCHEMBL7830672

SCHEMBL7830672

NC[C@H]1CN(c2ccc(N3C[C@H]4CN(C(=O)OCc5ccccc5)C[C@H]4C3)c(F)c2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.44
MAOA P21397 4/20 0.44
CALML3 P27482 2/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
SDHA P31040 1/20 0.44
F10 P00742 7/20 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
SCHEMBL7831660 0.92 CALML3 (0.51) MAOBMAOACALML3LMNAPTGS1
SCHEMBL1498789 0.90 MAOB (0.53) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5417793 0.90 MAOB (0.53) MAOBMAOACALML3LMNAPTGS1
SCHEMBL7830667 0.88 MAOB (0.42) MAOBMAOACALML3LMNAPTGS1
SCHEMBL7833227 0.88 MAOA (0.61) MAOBMAOACALML3LMNAPTGS1
SCHEMBL6397617 0.86 CALML3 (0.45) MAOBMAOACALML3F10
SCHEMBL27364293 0.86 CALML3 (0.45) MAOBMAOACALML3F10
SCHEMBL13367771 0.83 F10 (0.45) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5327254 0.82 MAOB (0.53) MAOBMAOACALML3LMNAPTGS1
SCHEMBL1498683 0.82 MAOB (0.53) MAOBMAOACALML3LMNAPTGS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828741-B1 SPIROCYCLIC AND BICYCLIC DIAZINYL AND CARBAZINYL OXAZOLIDINONES UPJOHN CO (US) 2001-08-29 EP disclosed
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