SCHEMBL8164145

SCHEMBL8164145

COC(=O)NCCCC(O)(c1cccc(Cl)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)c2ccc(CCN)cc2)C1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.70
CYP3A4 P08684 7/20 0.63

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
SCHEMBL13249875 1.00 REN (0.70) RENCYP3A4
SCHEMBL8164143 0.95 REN (0.72) RENCYP3A4
SCHEMBL3120793 0.94 REN (0.62) RENCYP3A4
SCHEMBL3113743 0.94 REN (0.62) RENCYP3A4
SCHEMBL8156833 0.92 REN (0.69) RENCYP3A4
SCHEMBL13249780 0.91 REN (0.69) RENCYP3A4
SCHEMBL3112908 0.91 REN (0.69) RENCYP3A4
SCHEMBL3112894 0.91 REN (0.69) RENCYP3A4
SCHEMBL8161095 0.90 REN (0.67) RENCYP3A4
SCHEMBL13249861 0.90 REN (0.67) 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