SCHEMBL4754652

SCHEMBL4754652

COCCCOc1cc(C[C@@H](C[C@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](O)C[C@H](C(=O)NCC2CC2)C(C)C)C(C)C)cnc1OC

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.47

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
SCHEMBL8471301 1.00 REN (0.47) REN
SCHEMBL8471421 0.91 REN (0.42) REN
SCHEMBL4790410 0.91 REN (0.42) REN
SCHEMBL8468915 0.90 REN (0.51) REN
SCHEMBL4755848 0.90 REN (0.51) REN
SCHEMBL8469360 0.86 REN (0.46) REN
SCHEMBL8459720 0.85 REN (0.56) REN
SCHEMBL4756783 0.84 REN (0.45) REN
SCHEMBL4756792 0.84 REN (0.45) REN
SCHEMBL4757219 0.81 REN (0.46) 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