SCHEMBL5507422

SCHEMBL5507422

COCCCCC(O)(c1cccc(F)c1)C1CCCN(C(N)=O)C1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.67
CYP3A4 P08684 1/20 0.50

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
SCHEMBL8268666 1.00 REN (0.67) RENCYP3A4
SCHEMBL8269649 0.90 REN (0.59) RENCYP3A4
SCHEMBL8271800 0.89 REN (0.67) REN
SCHEMBL12669733 0.87 REN (0.61) RENCYP3A4
SCHEMBL8269079 0.87 REN (0.70) RENCYP3A4
SCHEMBL8269100 0.85 REN (0.58) RENCYP3A4
SCHEMBL8269108 0.83 REN (0.55) RENCYP3A4
SCHEMBL1867073 0.83 REN (0.85) REN
SCHEMBL1867078 0.83 REN (0.85) REN
SCHEMBL1859588 0.83 REN (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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