SCHEMBL12956493

SCHEMBL12956493

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.57
MAOB P27338 4/20 0.57
LMNA P02545 1/20 0.57
PTGS1 P23219 1/20 0.57
CALML3 P27482 1/20 0.57
SDHA P31040 1/20 0.57
F10 P00742 9/20 0.56

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
SCHEMBL12956274 0.89 F10 (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL701373 0.89 MAOA (0.71) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL18202914 0.89 MAOA (0.71) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3206976 0.89 MAOA (0.71) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL2838621 0.85 F10 (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL2838615 0.85 F10 (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL12956275 0.85 MAOA (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4883356 0.84 MAOB (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5391149 0.84 MAOA (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL14370576 0.84 MAOA (0.52) 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
EP-1904489-B1 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB X PHARMACEUTICALS INC (US) 2011-01-26 EP disclosed