SCHEMBL8156802

SCHEMBL8156802

CCc1cccc(-c2c(Cl)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)c3ccc(CO)cc3)C2)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.75
CYP3A4 P08684 7/20 0.75

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
SCHEMBL13250002 1.00 REN (0.75) RENCYP3A4
SCHEMBL8169305 0.95 REN (0.76) RENCYP3A4
SCHEMBL3116153 0.95 REN (0.76) RENCYP3A4
SCHEMBL8166194 0.95 REN (0.76) RENCYP3A4
SCHEMBL3109723 0.94 REN (0.76) RENCYP3A4
SCHEMBL3115653 0.94 REN (0.76) RENCYP3A4
SCHEMBL8155095 0.94 REN (0.76) RENCYP3A4
SCHEMBL8150811 0.93 REN (0.73) RENCYP3A4
SCHEMBL8137541 0.93 REN (0.77) RENCYP3A4
SCHEMBL3119950 0.93 REN (0.73) 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-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed