SCHEMBL3636467

SCHEMBL3636467

[CH2]CCC(O)(c1cccc(F)c1-c1cccc(CC)c1)C1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.61
CYP3A4 P08684 4/20 0.57

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
SCHEMBL3643241 0.93 REN (0.63) RENCYP3A4
SCHEMBL3770446 0.93 REN (0.63) RENCYP3A4
SCHEMBL4750093 0.92 REN (0.56) RENCYP3A4
SCHEMBL3637166 0.91 REN (0.64) RENCYP3A4
SCHEMBL3639151 0.91 REN (0.64) RENCYP3A4
SCHEMBL3780666 0.90 REN (0.63) RENCYP3A4
SCHEMBL3638491 0.90 REN (0.63) RENCYP3A4
SCHEMBL3777190 0.89 REN (0.71) RENCYP3A4
SCHEMBL3777196 0.89 REN (0.71) RENCYP3A4
SCHEMBL3777769 0.89 REN (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

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