SCHEMBL1037899

SCHEMBL1037899

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)C(C(C)(C)C)[C@@H](CNC(=O)CO)[C@@H]3c3ccc(COC[C@@H](C)COC)cc3)cc21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.31

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
SCHEMBL1037898 1.00 REN (0.31) REN
SCHEMBL1040507 0.91 THRB (0.33) REN
SCHEMBL3950264 0.87 REN (0.33) REN
SCHEMBL3950265 0.87 REN (0.33) REN
SCHEMBL1036295 0.86 REN (0.32) REN
SCHEMBL1040429 0.85 REN (0.35) REN
SCHEMBL1037897 0.84 BACE1 (0.31) REN
SCHEMBL1038960 0.83 REN (0.32) REN
SCHEMBL1039439 0.83 PIK3CD (0.32) REN
SCHEMBL1040351 0.82 REN (0.35) REN

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-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed