SCHEMBL4611913

SCHEMBL4611913

O=C1CC(NC(=O)OCc2cccc3c2Cc2ccccc2-3)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 11/20 0.42
PNMT P11086 1/20 0.40
EPHX1 P07099 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL6393796 0.82 PNMT (0.42) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL28641177 0.80 PNMT (0.40) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL6502789 0.79 PNMT (0.54) PNMTEPHX1NPC1RAB9ADRD2
SCHEMBL31633620 0.78 PNMT (0.53) PNMTEPHX1NPC1RAB9ADRD2
SCHEMBL27703872 0.77 PNMT (0.51) PNMTEPHX1NPC1RAB9ADRD2
SCHEMBL5746141 0.77 PNMT (0.46) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL5180974 0.76 NAAA (0.58) NAAA
SCHEMBL3930648 0.76 NAAA (0.58) NAAA
SCHEMBL3059776 0.76 PNMT (0.54) PNMTEPHX1NPC1RAB9ADRD2
SCHEMBL765661 0.76 NAAA (0.58) NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984385-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2008-10-29 EP disclosed
EP-1984384-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES Monash University (AU) 2008-10-29 EP disclosed
EP-1984386-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS Monash University (AU) 2008-10-29 EP disclosed
WO-2007093012-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
WO-2007093014-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
WO-2007093013-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed