SCHEMBL7833032

SCHEMBL7833032

CC(=O)NCC1CN(c2ccc(N3CC4CN(C(=O)c5ccccc5F)CC4C3)c(F)c2)C(=O)O1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.65
MAOB P27338 5/20 0.65
PTGS1 P23219 2/20 0.65
SDHA P31040 2/20 0.65
LMNA P02545 1/20 0.65
CALML3 P27482 1/20 0.65
TOP2B Q02880 1/20 0.51
F10 P00742 3/20 0.51

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
SCHEMBL7833030 1.00 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7832274 0.89 MAOA (0.73) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7832270 0.89 MAOA (0.73) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6617702 0.86 MAOA (0.69) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7822247 0.86 MAOA (0.69) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7822248 0.86 MAOA (0.69) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6617697 0.86 MAOA (0.69) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7836292 0.86 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7834219 0.86 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7834215 0.86 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 3 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
WO-1996035691-A1 SPIROCYCLIC AND BICYCLIC DIAZINYL AND CARBAZINYL OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO disclosed