SCHEMBL3636730

SCHEMBL3636730

CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)C2CCCN(C(=O)CC(CNC)OC)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 1.00
CYP3A4 P08684 5/20 1.00

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
SCHEMBL3785474 1.00 REN (1.00) RENCYP3A4
SCHEMBL13010201 1.00 REN (1.00) RENCYP3A4
SCHEMBL3635231 0.95 REN (0.90) RENCYP3A4
SCHEMBL13010197 0.94 REN (1.00) RENCYP3A4
SCHEMBL13010387 0.94 REN (1.00) RENCYP3A4
SCHEMBL13010165 0.91 REN (1.00) RENCYP3A4
SCHEMBL13010334 0.91 REN (1.00) RENCYP3A4
SCHEMBL3779017 0.90 REN (0.81) RENCYP3A4
SCHEMBL3779021 0.90 REN (0.81) RENCYP3A4
SCHEMBL13010207 0.89 REN (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 WO disclosed