SCHEMBL499745

SCHEMBL499745

CNC[C@H](CC1C2CC3CC(C2)CC1C3)NC(=O)N(C)CC[C@@H](OCCN(C)C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.39
CYP3A4 P08684 3/20 0.37
SLC6A4 P31645 3/20 0.35
SLC6A2 P23975 2/20 0.35
KDM4E B2RXH2 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL3334699 0.91 REN (0.41) RENCYP3A4SLC6A4SLC6A2
SCHEMBL499017 0.86 REN (0.36) RENCYP3A4SLC6A4SLC6A2KDM4E
SCHEMBL498194 0.86 REN (0.53) RENCYP3A4
SCHEMBL498909 0.86 REN (0.53) RENCYP3A4
SCHEMBL499068 0.85 REN (0.51) RENCYP3A4
SCHEMBL499022 0.82 REN (0.54) RENCYP3A4
SCHEMBL498969 0.82 REN (0.42) RENCYP3A4SLC6A4SLC6A2
SCHEMBL497543 0.82 REN (0.52) RENCYP3A4
SCHEMBL499005 0.82 REN (0.52) RENCYP3A4
SCHEMBL498955 0.79 REN (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US claimed