SCHEMBL4756494

SCHEMBL4756494

COCCCc1n[nH]c2ccc(C(C)[C@@H](C[C@H](NC(=O)[C@@H](N)C(C)C)[C@@H](O)C[C@H](C(=O)NCC3CC3)C(C)C)C(C)C)cc12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.34
GSK3B P49841 12/20 0.34
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4756814 0.91 GSK3B (0.33) RENGSK3B
SCHEMBL4755820 0.87 REN (0.35) REN
SCHEMBL4754633 0.78 CTSD (0.33) REN
SCHEMBL4757259 0.77 REN (0.36) REN
SCHEMBL4525603 0.77 REN (0.36) REN
SCHEMBL4754635 0.75
SCHEMBL4756492 0.73 REN (0.43) REN
SCHEMBL8468872 0.73 REN (0.43) REN
SCHEMBL8476452 0.70 REN (0.45) REN
SCHEMBL4755815 0.70 REN (0.45) 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