SCHEMBL3640289

SCHEMBL3640289

CNCCCC(=O)N1CCCC(C(O)(CCCNC(=O)OC)c2cccc(F)c2-c2cnc3ccccc3c2)C1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.74
CYP3A4 P08684 5/20 0.74

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
SCHEMBL13010141 1.00 REN (0.74) RENCYP3A4
SCHEMBL3635271 0.93 REN (0.64) RENCYP3A4
SCHEMBL13010186 0.92 REN (0.74) RENCYP3A4
SCHEMBL3781392 0.90 REN (0.60) RENCYP3A4
SCHEMBL3781390 0.90 REN (0.60) RENCYP3A4
SCHEMBL13320869 0.88 REN (0.65) RENCYP3A4
SCHEMBL4750381 0.88 REN (0.65) RENCYP3A4
SCHEMBL13250052 0.87 REN (0.60) RENCYP3A4
SCHEMBL8164305 0.87 REN (0.60) RENCYP3A4
SCHEMBL13010145 0.86 REN (0.79) 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