SCHEMBL4589908

SCHEMBL4589908

CCCn1ccc(N2CCN(C(=O)O)[C@](C)(C(C)(C)C)C2)cc1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.34
PSMB1 P20618 2/20 0.34
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
GRM2 Q14416 2/20 0.31
ACACB O00763 1/20 0.31
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
IDO1 P14902 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL4589906 1.00 PSMB5 (0.34) PSMB5PSMB1NR1H2NR1H3GRM2
SCHEMBL20141795 0.69 DGAT1 (0.32)
SCHEMBL18759193 0.68 GCK (0.39) IDO1
SCHEMBL18759192 0.68 GCK (0.39) IDO1
SCHEMBL20141969 0.67 IDO1 (0.35) IDO1
SCHEMBL4573157 0.67 SUV39H2 (0.47) NR1H2NR1H3
SCHEMBL20140928 0.66 SLC6A7 (0.42)
SCHEMBL18759185 0.65 MAPT (0.49)
SCHEMBL8107811 0.63 BCL2A1 (0.42) PSMB5GRM2
SCHEMBL13522478 0.62 POLB (0.44) ACACB

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
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed