SCHEMBL8156699

SCHEMBL8156699

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

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.71
CYP3A4 P08684 4/20 0.65

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
SCHEMBL13250037 1.00 REN (0.71) RENCYP3A4
SCHEMBL8156701 0.94 REN (0.73) RENCYP3A4
SCHEMBL13250040 0.94 REN (0.73) RENCYP3A4
SCHEMBL3111643 0.94 REN (0.73) RENCYP3A4
SCHEMBL3111659 0.94 REN (0.64) RENCYP3A4
SCHEMBL3114329 0.94 REN (0.64) RENCYP3A4
SCHEMBL8169760 0.93 REN (0.71) RENCYP3A4
SCHEMBL8157128 0.93 REN (0.67) RENCYP3A4
SCHEMBL8158739 0.93 REN (0.67) RENCYP3A4
SCHEMBL3111636 0.92 REN (0.70) 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