SCHEMBL969489

SCHEMBL969489

CC(C)(C)C(N)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.40
METAP2 P50579 4/20 0.38
METAP1 P53582 2/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CPB2 Q96IY4 2/20 0.36

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
SCHEMBL972386 0.83 REN (0.40) RENCTSSCTSKCPB2
SCHEMBL970651 0.83 REN (0.40) RENCTSSCTSKCPB2
SCHEMBL9226154 0.82 REN (0.45) RENCTSKCPB2
SCHEMBL9226159 0.82 REN (0.45) RENCTSKCPB2
SCHEMBL7280734 0.82 REN (0.45) RENCTSKCPB2
SCHEMBL3603322 0.79 LTA4H (0.43) RENMETAP2METAP1CTSKCPB2
SCHEMBL3603318 0.79 LTA4H (0.43) RENMETAP2METAP1CTSKCPB2
SCHEMBL1865574 0.79 CPB2 (0.39) RENMETAP2METAP1CTSSCTSK
SCHEMBL1862727 0.77 LTA4H (0.43) RENMETAP2CTSK
SCHEMBL1859134 0.77 CTSK (0.39) RENCTSSCTSKCPB2

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-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed