SCHEMBL5026745

SCHEMBL5026745

CC(C)C[C@H](N)C(=O)NCC1CN(C(=O)O)CC1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.41
ARG2 P78540 1/20 0.41
SLC7A5 Q01650 1/20 0.37
ANPEP P15144 3/20 0.35
RNPEP Q9H4A4 2/20 0.35
DNPEP Q9ULA0 2/20 0.35
LARS1 Q9P2J5 1/20 0.34
MMP2 P08253 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
CTSK P43235 1/20 0.32
PEPD P12955 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
SCN9A Q15858 3/20 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
SCHEMBL4450666 1.00 ARG1 (0.41) ARG1ARG2SLC7A5ANPEPRNPEP
SCHEMBL13958625 0.84 NR1H2 (0.38) ARG1ARG2ANPEPRNPEPDNPEP
SCHEMBL6580449 0.77 NPFFR2 (0.46) LARS1
SCHEMBL4450584 0.72 CTSK (0.65) CTSK
SCHEMBL9928854 0.72 MEN1 (0.37)
SCHEMBL9928853 0.72 MEN1 (0.37)
SCHEMBL5096619 0.71 CTSK (0.41) ARG1ARG2SLC7A5LARS1MMP2
SCHEMBL5096613 0.71 CTSK (0.41) ARG1ARG2SLC7A5LARS1MMP2
SCHEMBL9928687 0.68 CHRNB2 (0.31)
SCHEMBL6127398 0.68 CHRNB2 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981596-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-22 EP disclosed
WO-2007082262-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-19 WO disclosed