SCHEMBL4746951

SCHEMBL4746951

CNC1CCC(C(=O)N2CCCC(C(CCCOC(N)=O)(OC(=O)N(C)CCCC(O)(c3cccc(Cl)c3Cc3cccc(C)c3)C3CCCN(C(=O)C4CCC(N)C4)C3)c3cccc(Cl)c3Cc3cccc(C)c3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.47
CYP3A4 P08684 4/20 0.47

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
SCHEMBL4746947 0.93 REN (0.51) RENCYP3A4
SCHEMBL2849707 0.88 REN (0.58) RENCYP3A4
SCHEMBL4749645 0.81 REN (0.51) RENCYP3A4
SCHEMBL2847699 0.80 REN (0.65) RENCYP3A4
SCHEMBL4297246 0.80 REN (0.65) RENCYP3A4
SCHEMBL2851985 0.80 REN (0.65) RENCYP3A4
SCHEMBL2847697 0.80 REN (0.65) RENCYP3A4
SCHEMBL8137739 0.79 REN (0.72) RENCYP3A4
SCHEMBL2841488 0.79 REN (0.64) RENCYP3A4
SCHEMBL2843758 0.79 REN (0.64) RENCYP3A4

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-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed