SCHEMBL4754050

SCHEMBL4754050

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.36
BRD4 O60885 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL4754052 1.00 REN (0.36) RENBRD4MEN1KMT2ABACE1
SCHEMBL4754046 1.00 REN (0.36) RENBRD4MEN1KMT2ABACE1
SCHEMBL4756778 0.95 REN (0.37) REN
SCHEMBL4756444 0.95 REN (0.37) REN
SCHEMBL4756436 0.95 REN (0.37) REN
SCHEMBL4756450 0.95 REN (0.37) REN
SCHEMBL4756773 0.95 REN (0.37) REN
SCHEMBL3465606 0.87 REN (0.41) REN
SCHEMBL8224074 0.84 REN (0.36) REN
SCHEMBL4757244 0.80 REN (0.39) 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