SCHEMBL13357755

SCHEMBL13357755

NC[C@H]1CN(c2ccc(N3CCNN(C(=O)C(Cl)Cl)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.51
▸ MAOB P27338 10/20 0.49
▸ MAOA P21397 4/20 0.49
▸ LMNA P02545 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ CALML3 P27482 1/20 0.49
▸ SDHA P31040 1/20 0.49

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
SCHEMBL13357864 0.89 MAOB (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL13981037 0.89 F10 (0.51) F10MAOBMAOALMNAPTGS1
SCHEMBL10151564 0.88 MAOA (0.67) F10MAOBMAOALMNAPTGS1
SCHEMBL13367930 0.87 MAOB (0.53) F10MAOBMAOALMNAPTGS1
SCHEMBL13357750 0.86 MAOB (0.53) F10MAOBMAOALMNAPTGS1
SCHEMBL13367768 0.86 MAOB (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL13357871 0.86 MAOB (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL13981087 0.85 F10 (0.48) F10MAOBMAOALMNAPTGS1
SCHEMBL13368011 0.84 F10 (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL13271873 0.84 MAOB (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181994-A1 Antimicrobial compounds Research Foundation Itsuu Laboratory (JP) 2010-05-05 — — EP disclosed
EP-2181993-A1 Antimicrobial oxazolidinone derivatives Research Foundation Itsuu Laboratory (JP) 2010-05-05 — — EP disclosed
EP-2009012-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING Research Foundation Itsuu Laboratory (JP) 2008-12-31 — — EP disclosed
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