SCHEMBL7830541

SCHEMBL7830541

CC(=O)NCC1CN(c2ccc(N3CC4CN(C(=O)c5cc6ccccc6[nH]5)CC4C3)c(F)c2)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.60
MAOB P27338 5/20 0.60
PTGS1 P23219 2/20 0.60
SDHA P31040 2/20 0.60
LMNA P02545 1/20 0.60
CALML3 P27482 1/20 0.60
F10 P00742 4/20 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
SCHEMBL7830538 1.00 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7833030 0.86 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7833032 0.86 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3395816 0.85 MAOB (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7832270 0.84 MAOA (0.73) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7832274 0.84 MAOA (0.73) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3394121 0.84 MAOB (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3395823 0.84 MAOB (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397255 0.84 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397262 0.84 MAOA (0.53) 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 5 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 claimed
US-6090820-A MICROBIOCIDES, BATERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-07-18 US claimed
EP-0828741-A1 SPIROCYCLIC AND BICYCLIC DIAZINYL AND CARBAZINYL OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1998-03-18 EP claimed
WO-1996035691-A1 SPIROCYCLIC AND BICYCLIC DIAZINYL AND CARBAZINYL OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO claimed
US-6090820-A MICROBIOCIDES, BATERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-07-18 US disclosed