SCHEMBL1037890

SCHEMBL1037890

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)C(C(C)(C)C)[C@@H](OC[C@H](O)CO[N+](=O)[O-])[C@@H]3c3ccc(OC)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
SCHEMBL1037889 1.00 REN (0.31) REN
SCHEMBL1039352 0.94 REN (0.33) REN
SCHEMBL1039350 0.94 REN (0.33) REN
SCHEMBL1039425 0.91 REN (0.31) REN
SCHEMBL1039427 0.91 REN (0.31) REN
SCHEMBL1039723 0.91 REN (0.32) REN
SCHEMBL1039410 0.90 RORC (0.34) REN
SCHEMBL1039409 0.90 RORC (0.34) REN
SCHEMBL1036313 0.89 REN (0.31) REN
SCHEMBL1036312 0.89 REN (0.31) 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