SCHEMBL4959527

SCHEMBL4959527

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]3c3ccc(COC)cc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.32
CYP2C9 P11712 1/20 0.32
RORC P51449 5/20 0.31
KMT2A Q03164 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
SCHEMBL1040945 0.96 LMNA (0.32) RENCYP2C9RORC
SCHEMBL1517996 0.95 REN (0.32) RENCYP2C9RORCKMT2A
SCHEMBL2918847 0.95 FKBP1A (0.33) RENCYP2C9RORCKMT2A
SCHEMBL1041031 0.95 CYP2C9 (0.33) RENCYP2C9RORCKMT2A
SCHEMBL5505093 0.95 CYP2C9 (0.33) RENCYP2C9RORCKMT2A
SCHEMBL1517809 0.94 REN (0.31) RENCYP2C9
SCHEMBL2389129 0.92 REN (0.31) REN
SCHEMBL4961309 0.89 CYP2C9 (0.35) RENCYP2C9KMT2A
SCHEMBL4959467 0.89 CYP2C9 (0.36) RENCYP2C9RORCKMT2A
SCHEMBL4539304 0.86 LMNA (0.33) RENCYP2C9KMT2A

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-1897879-A2 2,4,5 substituted piperidines as renin inhibitors Speedel Experimenta AG (CH) 2008-03-12 EP disclosed