SCHEMBL4389905

SCHEMBL4389905

CNC(=O)OC1CN(c2ccc(N3CCCOCC3)cc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.44
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
MAPT P10636 6/20 0.40
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4386333 0.88 MAOB (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL4382266 0.86 MAOA (0.58) F10MAOBMAOALMNAPTGS1
SCHEMBL4388934 0.85 MAOA (0.45) F10MAOBMAOALMNAPTGS1
SCHEMBL13632912 0.81 MAOA (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL4384627 0.81 MAOA (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL4375836 0.80 MAOA (0.43) F10MAOBMAOALMNAPTGS1
SCHEMBL4379544 0.79 MAOA (0.50) F10MAOBMAOALMNAPTGS1
SCHEMBL13632910 0.76 MAOA (0.63) F10MAOBMAOALMNAPTGS1
SCHEMBL4378817 0.76 MAOA (0.63) F10MAOBMAOALMNAPTGS1
SCHEMBL4965827 0.74 F10 (0.53) F10MAOBMAOALMNAPTGS1

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
EP-1899331-B1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2009-11-25 EP claimed