SCHEMBL5509846

SCHEMBL5509846

CC(=O)NCCC[C@@](O)(c1cccc(Cl)c1)C1CCCN(C(=O)O)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.69
CYP3A4 P08684 1/20 0.43

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
SCHEMBL5603647 1.00 REN (0.69) RENCYP3A4
SCHEMBL5504703 0.91 REN (0.70) RENCYP3A4
SCHEMBL4789098 0.91 REN (0.69) RENCYP3A4
SCHEMBL27689729 0.91 REN (0.70) RENCYP3A4
SCHEMBL27758544 0.91 REN (0.69) RENCYP3A4
SCHEMBL1871893 0.89 REN (0.66) REN
SCHEMBL1871894 0.89 REN (0.66) REN
SCHEMBL5515355 0.86 REN (0.64) REN
SCHEMBL5510417 0.85 REN (0.53) REN
SCHEMBL4752903 0.85 REN (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE 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