SCHEMBL5505403

SCHEMBL5505403

COCCCC[C@@](O)(c1cccc(Oc2ccccc2C)c1F)C1CCCN(C(=O)O)C1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.66
CYP3A4 P08684 1/20 0.52

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
SCHEMBL5510127 0.92 REN (0.75) REN
SCHEMBL4746551 0.92 REN (0.75) REN
SCHEMBL1861282 0.91 REN (0.62) RENCYP3A4
SCHEMBL1861281 0.91 REN (0.62) RENCYP3A4
SCHEMBL13660437 0.88 REN (0.59) RENCYP3A4
SCHEMBL1861978 0.87 REN (0.74) RENCYP3A4
SCHEMBL1861981 0.87 REN (0.74) RENCYP3A4
SCHEMBL1864169 0.87 REN (0.74) RENCYP3A4
SCHEMBL4293889 0.86 REN (0.88) REN
SCHEMBL4293890 0.86 REN (0.88) REN

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
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed