SCHEMBL13367767

SCHEMBL13367767

COCC(=O)N1CCN(c2ccc(N3C[C@H](CNC(=O)CO)OC3=O)cc2F)CCN1C(=O)CO

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.60
▸ MAOB P27338 6/20 0.59
▸ MAOA P21397 4/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ CALML3 P27482 1/20 0.59
▸ SDHA P31040 1/20 0.59

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
SCHEMBL10151507 0.93 F10 (0.67) F10MAOBMAOALMNAPTGS1
SCHEMBL10151505 0.87 MAOB (0.76) F10MAOBMAOALMNAPTGS1
SCHEMBL7262351 0.86 F10 (0.60) F10MAOBMAOALMNAPTGS1
SCHEMBL7260988 0.86 F10 (0.60) F10MAOBMAOALMNAPTGS1
SCHEMBL10151508 0.85 MAOB (0.67) F10MAOBMAOALMNAPTGS1
SCHEMBL12674054 0.85 MAOB (0.73) F10MAOBMAOALMNAPTGS1
SCHEMBL13694074 0.85 MAOB (0.73) F10MAOBMAOALMNAPTGS1
SCHEMBL7710198 0.84 F10 (0.62) F10MAOBMAOALMNAPTGS1
SCHEMBL7710201 0.84 F10 (0.62) F10MAOBMAOALMNAPTGS1
SCHEMBL7709919 0.84 MAOB (0.64) 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-2181993-A1 Antimicrobial oxazolidinone derivatives Research Foundation Itsuu Laboratory (JP) 2010-05-05 — — EP disclosed
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