SCHEMBL4754697

SCHEMBL4754697

COCCCC(c1ccc2c(C)n[nH]c2c1)[C@@H](C[C@H](NC(=O)C(N)C(C)C)[C@@H](O)C[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.31
MAPK1 P28482 2/20 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
SCHEMBL4755841 0.90
SCHEMBL4539815 0.88 REN (0.34) REN
SCHEMBL4757256 0.88 REN (0.31) REN
SCHEMBL4754095 0.78 REN (0.30) REN
SCHEMBL4539766 0.75 REN (0.35) REN
SCHEMBL4253146 0.74 KDM4E (0.32) MAPK1
SCHEMBL4534924 0.71 REN (0.31) REN
SCHEMBL4756494 0.69 REN (0.34) REN
SCHEMBL4754674 0.68 REN (0.42) REN
SCHEMBL3466069 0.66 PDE2A (0.32) 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