SCHEMBL1040429

SCHEMBL1040429

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.35
GBA1 P04062 2/20 0.31
UGCG Q16739 2/20 0.31
GBA2 Q9HCG7 2/20 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
SCHEMBL1040351 0.93 REN (0.35) REN
SCHEMBL1040452 0.88 REN (0.33) REN
SCHEMBL1040451 0.88 REN (0.33) REN
SCHEMBL1037898 0.85 REN (0.31) REN
SCHEMBL1037899 0.85 REN (0.31) REN
SCHEMBL1040069 0.85 RORC (0.32) REN
SCHEMBL1040507 0.85 THRB (0.33) REN
SCHEMBL1038354 0.84 REN (0.36) REN
SCHEMBL3945248 0.84 REN (0.37) RENGBA1UGCGGBA2
SCHEMBL2682327 0.84 REN (0.38) RENGBA1UGCGGBA2

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