SCHEMBL970651

SCHEMBL970651

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.40
LTA4H P09960 1/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 1/20 0.38
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
CPB2 Q96IY4 2/20 0.34

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 1.00 REN (0.40) RENLTA4HCTSSCTSKGRN
SCHEMBL969489 0.83 REN (0.40) RENCTSSCTSKCPB2
SCHEMBL9226154 0.82 REN (0.45) RENLTA4HCTSKCPB2
SCHEMBL7280734 0.82 REN (0.45) RENLTA4HCTSKCPB2
SCHEMBL9226159 0.82 REN (0.45) RENLTA4HCTSKCPB2
SCHEMBL1862727 0.77 LTA4H (0.43) RENLTA4HCTSKGRNSORT1
SCHEMBL7323217 0.77 REN (0.41) RENLTA4HCTSK
SCHEMBL7323220 0.77 REN (0.41) RENLTA4HCTSK
SCHEMBL1859134 0.77 CTSK (0.39) RENLTA4HCTSSCTSKCPB2
SCHEMBL7268749 0.77 CTSK (0.39) RENLTA4HCTSSCTSKCPB2

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