SCHEMBL4749673

SCHEMBL4749673

CCc1cccc(Oc2c(Cl)cccc2C(O)(CCCNC(=O)OC)C2CCCN(C(=O)C3CCC(N)C3)C2)c1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.79
CYP3A4 P08684 6/20 0.79

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
SCHEMBL8137744 1.00 REN (0.79) RENCYP3A4
SCHEMBL2842021 0.95 REN (0.70) RENCYP3A4
SCHEMBL2851252 0.95 REN (0.70) RENCYP3A4
SCHEMBL2842216 0.95 REN (0.70) RENCYP3A4
SCHEMBL13320867 0.92 REN (0.68) RENCYP3A4
SCHEMBL4750354 0.92 REN (0.68) RENCYP3A4
SCHEMBL13320880 0.92 REN (0.79) RENCYP3A4
SCHEMBL2840684 0.91 REN (0.68) RENCYP3A4
SCHEMBL2847269 0.91 REN (0.68) RENCYP3A4
SCHEMBL2840662 0.91 REN (0.68) 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