SCHEMBL4757263

SCHEMBL4757263

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.33
CTSD P07339 1/20 0.33
F10 P00742 2/20 0.33
PRSS1 P07477 2/20 0.33
ALDH1A1 P00352 1/20 0.32

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 0.90 REN (0.36) REN
SCHEMBL4756439 0.86 REN (0.33) REN
SCHEMBL4754056 0.86 REN (0.42) REN
SCHEMBL4754633 0.80 CTSD (0.33) RENCTSDF10PRSS1ALDH1A1
SCHEMBL4754095 0.79 REN (0.30) REN
SCHEMBL4756814 0.79 GSK3B (0.33) RENCTSDF10PRSS1ALDH1A1
SCHEMBL4754600 0.78 BACE1 (0.35)
SCHEMBL4755841 0.77
SCHEMBL3466069 0.73 PDE2A (0.32) REN
SCHEMBL3464389 0.73 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