SCHEMBL499032

SCHEMBL499032

CCCN(CCC(OCCN(C)C(=O)O)c1cccc(Cl)c1)C(=O)N[C@H](CNC)CC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.51
CYP3A4 P08684 2/20 0.48

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
SCHEMBL498909 0.93 REN (0.53) RENCYP3A4
SCHEMBL498194 0.93 REN (0.53) RENCYP3A4
SCHEMBL499610 0.92 REN (0.52) RENCYP3A4
SCHEMBL499078 0.90 REN (0.51) RENCYP3A4
SCHEMBL498955 0.90 REN (0.51) RENCYP3A4
SCHEMBL4755930 0.90 REN (0.53) RENCYP3A4
SCHEMBL498828 0.90 REN (0.53) RENCYP3A4
SCHEMBL10253871 0.88 REN (0.62) RENCYP3A4
SCHEMBL13301277 0.88 REN (0.62) RENCYP3A4
SCHEMBL497791 0.87 REN (0.52) 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