SCHEMBL8909618

SCHEMBL8909618

NC(=O)C(Cc1cccnc1)OC(=O)N(C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(N)=O)[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.37
REN P00797 6/20 0.35
GPR132 Q9UNW8 1/20 0.35
C3AR1 Q16581 1/20 0.33
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 1/20 0.32
PSMA4 P25789 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMA5 P28066 1/20 0.32
PSMB4 P28070 1/20 0.32
PSMB6 P28072 1/20 0.32
PSMB5 P28074 1/20 0.32
LONP1 P36776 1/20 0.32
PSMB10 P40306 1/20 0.32
PSMB3 P49720 1/20 0.32

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
SCHEMBL8910205 0.82 GPR132 (0.36) RENGPR132
SCHEMBL8908848 0.77 F2R (0.37) SIRT2REN
SCHEMBL8910552 0.75 REN (0.36) SIRT2REN
SCHEMBL8910197 0.75 REN (0.36) SIRT2REN
SCHEMBL8909424 0.75 SIRT2 (0.34) SIRT2REN
SCHEMBL8910523 0.75 KDM4E (0.38) SIRT2
SCHEMBL8909624 0.73 C3AR1 (0.31) SIRT2RENC3AR1
SCHEMBL8909763 0.71 P2RX1 (0.44) SIRT2REN
SCHEMBL9800494 0.71 P2RX1 (0.44) SIRT2REN
SCHEMBL8908817 0.70 REN (0.38) RENPSMB8PSMB9PSMB5PSMB10

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-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed