SCHEMBL499306

SCHEMBL499306

CCN(CC[C@@H](OCCN(C)C(=O)O)c1cccc(Cl)c1)C(=O)N[C@H](CNC)C[C@H]1CCCOC1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.52
CYP3A4 P08684 2/20 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
SCHEMBL499249 1.00 REN (0.52) RENCYP3A4
SCHEMBL497791 1.00 REN (0.52) RENCYP3A4
SCHEMBL499610 0.96 REN (0.52) RENCYP3A4
SCHEMBL499022 0.93 REN (0.54) RENCYP3A4
SCHEMBL497543 0.91 REN (0.52) RENCYP3A4
SCHEMBL499005 0.91 REN (0.52) RENCYP3A4
SCHEMBL3336458 0.91 REN (0.56) RENCYP3A4
SCHEMBL499097 0.91 REN (0.56) RENCYP3A4
SCHEMBL4790001 0.91 REN (0.56) RENCYP3A4
SCHEMBL499210 0.91 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
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US claimed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed