SCHEMBL4756439

SCHEMBL4756439

COCCCC(c1ccc2cc[nH]c2c1)C(C[C@H](NC(=O)OC(C)Cl)[C@@H](O)C[C@H](C(=O)NCC1CC1)C(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.33
NR4A2 P43354 1/20 0.31
CD38 P28907 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
SCHEMBL4757259 0.89 REN (0.36) REN
SCHEMBL4756432 0.86
SCHEMBL4757263 0.86 REN (0.33) REN
SCHEMBL4754056 0.86 REN (0.42) REN
SCHEMBL4754629 0.78
SCHEMBL3466069 0.75 PDE2A (0.32) REN
SCHEMBL3464389 0.75 PDE2A (0.32) REN
SCHEMBL4754600 0.74 BACE1 (0.35)
SCHEMBL4756435 0.72 REN (0.41) REN
SCHEMBL4756428 0.72 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