SCHEMBL4755825

SCHEMBL4755825

COCCCn1nc(C)c2ccc(C[C@@H](C[C@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](O)C[C@H](C(=O)O)C(C)C)C(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.38

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
SCHEMBL4754674 0.90 REN (0.42) REN
SCHEMBL8471477 0.88 REN (0.39) REN
SCHEMBL4754090 0.87 REN (0.39) REN
SCHEMBL4539812 0.83 REN (0.48) REN
SCHEMBL4756514 0.80 REN (0.59) REN
SCHEMBL4756536 0.80 REN (0.59) REN
SCHEMBL8471713 0.78 REN (0.42) REN
SCHEMBL14144408 0.77 REN (0.47) REN
SCHEMBL4249857 0.77 REN (0.47) REN
SCHEMBL4757248 0.76 REN (0.42) 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