SCHEMBL16306708

SCHEMBL16306708

CC(=O)NC[C@@H]1CCC(=O)N(c2ccc(-c3ccc(Cc4noc(C)n4)cc3)c(F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.45
MAPK14 Q16539 1/20 0.37
CALML3 P27482 5/20 0.35
MAOB P27338 2/20 0.35
LMNA P02545 2/20 0.35
PTGS1 P23219 1/20 0.35
SDHA P31040 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC5 Q9UQL6 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3177016 0.84 MAOA (0.65) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1394291 0.84 MAOA (0.65) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1394141 0.76 MAOA (0.62) MAOACALML3MAOBLMNAPTGS1
SCHEMBL2899124 0.70 MAOA (0.68) MAOACALML3MAOBLMNAPTGS1
SCHEMBL11983103 0.70 CALML3 (0.42) MAOACALML3MAOBLMNAPTGS1
SCHEMBL14386911 0.69 BPTF (0.43) MAOACALML3MAOBLMNAPTGS1
SCHEMBL11983134 0.69 MAOA (0.40) MAOACALML3MAOBLMNAPTGS1
SCHEMBL14432626 0.69 MAOA (0.66) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3178893 0.69 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1393425 0.69 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1

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-1660465-B1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES MELINTA THERAPEUTICS INC (US) 2014-12-17 EP disclosed