SCHEMBL4754634

SCHEMBL4754634

COCCCc1nn(C)c2ccc(C[C@@H](C[C@H](NC(=O)OC(C)OC(=O)C(C)C)[C@@H](O)C[C@H](C(=O)NCC3CC3)C(C)C)C(C)C)cc12

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.39

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
SCHEMBL4754636 1.00 REN (0.39) REN
SCHEMBL8468872 0.88 REN (0.43) REN
SCHEMBL4756492 0.88 REN (0.43) REN
SCHEMBL8471863 0.85 REN (0.40) REN
SCHEMBL4756821 0.85 REN (0.40) REN
SCHEMBL4754630 0.83 REN (0.40) REN
SCHEMBL4754627 0.83 REN (0.40) REN
SCHEMBL8468933 0.82 REN (0.43) REN
SCHEMBL4755887 0.79 REN (0.41) REN
SCHEMBL8459905 0.79 REN (0.41) 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-1911762-A1 Amino alcohols and their use as renin inhibitors Speedel Experimenta AG (CH) 2008-04-16 EP disclosed