SCHEMBL4756444

SCHEMBL4756444

COCCCn1ccc2ccc(C[C@H](C[C@H](NC(=O)OC(C)(C)C)C3C[C@@H](C(C)C)C(=O)O3)C(C)C)cc21

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.37
MCL1 Q07820 2/20 0.32

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
SCHEMBL4756436 1.00 REN (0.37) RENMCL1
SCHEMBL4756773 1.00 REN (0.37) RENMCL1
SCHEMBL4756450 1.00 REN (0.37) RENMCL1
SCHEMBL4756778 1.00 REN (0.37) RENMCL1
SCHEMBL4754046 0.95 REN (0.36) REN
SCHEMBL4754050 0.95 REN (0.36) REN
SCHEMBL4754052 0.95 REN (0.36) REN
SCHEMBL3465606 0.91 REN (0.41) RENMCL1
SCHEMBL8224074 0.88 REN (0.36) REN
SCHEMBL4757244 0.83 REN (0.39) RENMCL1

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-1911762-A1 Amino alcohols and their use as renin inhibitors Speedel Experimenta AG (CH) 2008-04-16 EP disclosed