SCHEMBL4974752

SCHEMBL4974752

N#CCCCOC(c1cccc(Cl)c1)C1CCCN(C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.55
CYP3A4 P08684 3/20 0.49

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
SCHEMBL4974746 1.00 REN (0.55) RENCYP3A4
SCHEMBL2325916 0.89 REN (0.49) RENCYP3A4
SCHEMBL2325919 0.89 REN (0.49) RENCYP3A4
SCHEMBL4973080 0.88 REN (0.57) RENCYP3A4
SCHEMBL4973087 0.88 REN (0.57) RENCYP3A4
Cyanate SCHEMBL27898915 0.88 REN (0.53) RENCYP3A4
SCHEMBL3614406 0.88 REN (0.54) RENCYP3A4
SCHEMBL3614407 0.88 REN (0.54) RENCYP3A4
SCHEMBL3614410 0.88 REN (0.54) RENCYP3A4
SCHEMBL970985 0.86 REN (0.56) 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-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed