SCHEMBL1668751

SCHEMBL1668751

CC(=O)NCC1CN(c2ccc(OBOc3ccc(N4CC(CNC(C)=O)OC4=O)cc3F)c(F)c2)C(=O)O1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.65
MAOB P27338 3/20 0.65
PTGS1 P23219 2/20 0.65
SDHA P31040 2/20 0.65
LMNA P02545 1/20 0.65
CALML3 P27482 1/20 0.65
F10 P00742 2/20 0.51

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
SCHEMBL4634029 0.86 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4634026 0.86 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL16701349 0.86 MAOA (0.74) MAOAMAOBPTGS1SDHALMNA
SCHEMBL16701350 0.86 MAOA (0.74) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6097822 0.85 MAOA (0.72) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3328441 0.85 MAOA (0.76) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3328443 0.85 MAOA (0.76) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13034192 0.85 MAOA (0.72) MAOAMAOBPTGS1SDHALMNA
SCHEMBL12950996 0.85 MAOA (0.72) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5724702 0.84 MAOA (0.64) MAOAMAOBPTGS1SDHALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed