SCHEMBL3638528

SCHEMBL3638528

[CH2]CCC(O)(c1cccc(F)c1-c1cccc(CC)c1)C1CCCN(C(=O)CNC(=O)CN)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.69
CYP3A4 P08684 3/20 0.66

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
SCHEMBL3636776 0.92 REN (0.76) RENCYP3A4
SCHEMBL3775026 0.90 REN (0.77) RENCYP3A4
SCHEMBL3777378 0.90 REN (0.77) RENCYP3A4
SCHEMBL13010176 0.89 REN (0.88) RENCYP3A4
SCHEMBL3643622 0.87 REN (0.68) RENCYP3A4
SCHEMBL3636707 0.86 REN (0.63) RENCYP3A4
SCHEMBL3773822 0.86 REN (0.63) RENCYP3A4
SCHEMBL3637163 0.85 REN (0.78) RENCYP3A4
SCHEMBL3637882 0.84 REN (0.80) RENCYP3A4
SCHEMBL3643241 0.84 REN (0.63) 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