SCHEMBL4786954

SCHEMBL4786954

CCOP1(=O)CCN(c2c(F)cc(N3C[C@H](CNC(=O)OC)OC3=O)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.45
MAOB P27338 4/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
F10 P00742 9/20 0.41

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
SCHEMBL4810778 0.88 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4743089 0.88 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4786963 0.86 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL18408933 0.84 MAOB (0.62) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL18410532 0.83 MAOA (0.63) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4742741 0.82 MAOA (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4741099 0.82 MAOA (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL23847765 0.82 F10 (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL27252753 0.82 F10 (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL14872039 0.82 MAOA (0.48) MAOAMAOBLMNAPTGS1CALML3

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-2008090570-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD (IN) 2008-07-31 WO disclosed