SCHEMBL973034

SCHEMBL973034

CNC([C@H](O)[C@H](CC1CCOCC1)NC(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.33
GCK P35557 1/20 0.32
CTSS P25774 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
USP30 Q70CQ3 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
SCHEMBL4429975 0.76 CTSD (0.32) REN
SCHEMBL4429973 0.76 CTSD (0.32) REN
SCHEMBL4429976 0.76 CTSD (0.32) REN
SCHEMBL1567591 0.76 CNR1 (0.33) GCKCTSSCNR1CNR2USP30
SCHEMBL2028293 0.76 CNR1 (0.37) GCKCTSSCNR1CNR2USP30
SCHEMBL1867802 0.74 CTSS (0.31) CTSS
SCHEMBL972231 0.71
SCHEMBL972386 0.71 REN (0.40) RENCTSS
SCHEMBL970651 0.71 REN (0.40) RENCTSS
SCHEMBL969489 0.71 REN (0.40) RENCTSS

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