SCHEMBL3128016

SCHEMBL3128016

CC(C)(C)NCC1COC(=O)N1c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.50
MAOA P21397 5/20 0.50
LMNA P02545 2/20 0.50
PTGS1 P23219 1/20 0.50
CALML3 P27482 1/20 0.50
SDHA P31040 1/20 0.50
F10 P00742 1/20 0.43
NPC1 O15118 1/20 0.40
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5183025 0.84 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6675442 0.84 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL16406162 0.81 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL2824978 0.80 MAOB (0.74) MAOBMAOALMNAPTGS1CALML3
SCHEMBL2824983 0.80 MAOB (0.74) MAOBMAOALMNAPTGS1CALML3
SCHEMBL16054086 0.78 RPS6KA3 (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6727354 0.74 MAOB (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13344776 0.73 F10 (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7081327 0.73 L3MBTL1 (0.44) MAOBMAOALMNANPC1ALDH1A1
SCHEMBL7081325 0.73 L3MBTL1 (0.44) MAOBMAOALMNANPC1ALDH1A1

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
WO-2010031769-A1 PROCESS FOR THE PREPARATION OF AN OXAZOLIDINONE ANTIBACTERIAL AGENT AND INTERMEDIATES THEREOF UNIÓN QUÍMICO FARMACÉUTICA, S. A. (ES) 2010-03-25 WO disclosed