SCHEMBL469925

SCHEMBL469925

Bc1ccc(N2C[C@H](CO)OC2=O)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
CALML3 P27482 7/20 0.46
GRM2 Q14416 3/20 0.40
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
SDHA P31040 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL412126 0.84 MAOA (0.46) MAOAMAOBCALML3GRM2LMNA
SCHEMBL13942149 0.84 MAOA (0.46) MAOAMAOBCALML3GRM2LMNA
SCHEMBL13942140 0.77 CYP2E1 (0.52) MAOAMAOBCALML3GRM2LMNA
SCHEMBL5945278 0.77 CYP2E1 (0.52) MAOAMAOBCALML3GRM2LMNA
SCHEMBL4578360 0.76 GRM2 (0.64) MAOAMAOBCALML3GRM2
SCHEMBL4901632 0.75 MAOB (0.61) MAOAMAOBCALML3GRM2LMNA
SCHEMBL2897920 0.75 CALML3 (0.50) MAOAMAOBCALML3GRM2LMNA
SCHEMBL16685649 0.75 CALML3 (0.50) MAOAMAOBCALML3GRM2LMNA
SCHEMBL5945387 0.73 CALML3 (0.39) MAOAMAOBCALML3GRM2LMNA
SCHEMBL7297166 0.73 GRM2 (0.63) MAOAMAOBCALML3GRM2

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-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 WO disclosed