SCHEMBL3885241

SCHEMBL3885241

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)CC(COC)C3c3ccc(COC[C@@H](C)COC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.35
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PDE4B Q07343 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
SCHEMBL1015531 1.00 REN (0.35) RENTMEM97SIGMAR1PDE4B
SCHEMBL1015530 1.00 REN (0.35) RENTMEM97SIGMAR1PDE4B
SCHEMBL1014019 0.96 REN (0.35) RENTMEM97SIGMAR1
SCHEMBL1014018 0.96 REN (0.35) RENTMEM97SIGMAR1
SCHEMBL1017601 0.95 REN (0.33) RENTMEM97SIGMAR1PDE4B
SCHEMBL1017603 0.95 REN (0.33) RENTMEM97SIGMAR1PDE4B
SCHEMBL1014767 0.94 REN (0.34) RENTMEM97SIGMAR1PDE4B
SCHEMBL1014766 0.94 REN (0.34) RENTMEM97SIGMAR1PDE4B
SCHEMBL1015224 0.93 REN (0.32) RENPDE4B
SCHEMBL1015225 0.93 REN (0.32) RENPDE4B

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-1934207-B1 SUBSTITUTED 4-PHENYL PIPERIDINES FOR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2009-03-11 EP disclosed