SCHEMBL4755359

SCHEMBL4755359

CNC(C1CCCCC1)C(C)NC(=O)N(C)CCC1(CCCCOC)NC(=O)c2cc(Cl)ccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PYGL P06737 4/20 0.32
F11 P03951 6/20 0.31
KLKB1 P03952 6/20 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
SCHEMBL4754331 0.94 PYGL (0.32) PYGLF11KLKB1
SCHEMBL4788989 0.91 CTSS (0.34)
SCHEMBL4756926 0.87 CTSS (0.35)
SCHEMBL4811775 0.87 CTSS (0.35)
SCHEMBL498973 0.78 REN (0.43)
SCHEMBL498972 0.78 REN (0.43)
SCHEMBL499788 0.78 REN (0.43)
SCHEMBL499789 0.78 REN (0.43)
SCHEMBL4756800 0.73 REN (0.31)
SCHEMBL499809 0.71 REN (0.43)

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
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed