SCHEMBL4749601

SCHEMBL4749601

CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)O)C2CCCN(C(=O)CCC3CCCCN3)C2)c1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.88
CYP3A4 P08684 2/20 0.69

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
SCHEMBL3726529 1.00 REN (0.88) RENCYP3A4
SCHEMBL3726534 1.00 REN (0.88) RENCYP3A4
SCHEMBL8157335 0.94 REN (1.00) RENCYP3A4
SCHEMBL3732463 0.92 REN (0.88) RENCYP3A4
SCHEMBL3732458 0.92 REN (0.88) RENCYP3A4
SCHEMBL4748654 0.91 REN (0.88) RENCYP3A4
SCHEMBL3732445 0.91 REN (0.88) RENCYP3A4
SCHEMBL3732443 0.91 REN (0.88) RENCYP3A4
SCHEMBL3803309 0.89 REN (0.86) RENCYP3A4
SCHEMBL3737775 0.89 REN (0.86) 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-2008124577-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed