SCHEMBL1039533

SCHEMBL1039533

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.33
REN P00797 1/20 0.31
NPY5R Q15761 1/20 0.30

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
SCHEMBL1038043 0.94 RORC (0.32) RORCREN
SCHEMBL1039352 0.90 REN (0.33) REN
SCHEMBL1039350 0.90 REN (0.33) REN
SCHEMBL1039410 0.90 RORC (0.34) RORCREN
SCHEMBL1039409 0.90 RORC (0.34) RORCREN
SCHEMBL1040069 0.89 RORC (0.32) RORCREN
SCHEMBL1036312 0.89 REN (0.31) RORCREN
SCHEMBL1036313 0.89 REN (0.31) RORCREN
SCHEMBL1039803 0.88 REN (0.34) REN
SCHEMBL1037895 0.88 RORC (0.35) RORCRENNPY5R

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