SCHEMBL4752903

SCHEMBL4752903

NCCCC(O)(c1cccc(Cl)c1)C1CCCN(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.53
KIF11 P52732 1/20 0.44

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
SCHEMBL5510417 1.00 REN (0.53) RENKIF11
SCHEMBL4974537 0.88 REN (0.53) REN
SCHEMBL28775624 0.88 REN (0.53) REN
SCHEMBL968749 0.87 REN (0.53) REN
SCHEMBL3611603 0.87 REN (0.53) REN
SCHEMBL968751 0.87 REN (0.53) REN
SCHEMBL5508438 0.86 REN (0.67) REN
SCHEMBL5503909 0.86 REN (0.68) REN
SCHEMBL27829352 0.86 REN (0.68) REN
SCHEMBL5509846 0.85 REN (0.69) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101356156-B Aspartic protease inhibitors VITAE PHARMACEUTICALS INC 2012-12-05 CN disclosed
CN-101072561-B Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC 2011-05-11 CN disclosed
CN-101356156-A Aspartic protease inhibitors VITAE PHARMACEUTICALS INC (US) 2009-01-28 CN disclosed
WO-2008156832-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
CN-101072561-A Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC (US) 2007-11-14 CN disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed