SCHEMBL6574895

SCHEMBL6574895

CSCC[C@H](N)C(=O)OC(=O)[C@@H](N)CCCCN.[Cu]

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.46
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
CPB2 Q96IY4 2/20 0.36
DPP7 Q9UHL4 6/20 0.35
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 3/20 0.35
DPP4 P27487 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
MARS1 P56192 4/20 0.34
RNPEP Q9H4A4 2/20 0.33

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
SCHEMBL1345094 0.98 GSR (0.47) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL5586890 0.93 GSR (0.40) GSRGNAI3GNAO1GNAI1DPP7
Serine SCHEMBL3442575 0.89 GSR (0.50) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL5617582 0.86 RNPEP (0.42) METAP2METAP1MARS1RNPEP
SCHEMBL20996747 0.86 RNPEP (0.42) METAP2METAP1MARS1RNPEP
SCHEMBL162031 0.86 RNPEP (0.42) METAP2METAP1MARS1RNPEP
SCHEMBL6045793 0.86 RNPEP (0.42) METAP2METAP1MARS1RNPEP
SCHEMBL20240364 0.84 GSR (0.61) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL1404247 0.84 GSR (0.61) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL344574 0.84 GSR (0.61) GSRGNAI3GNAO1GNAI1CPB2

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-1408999-A1 COMPOSITIONS ADDRESSING INFLAMMATION AND/OR DEGENERATIVE DISORDERS BOMAC LABORATORIES LIMITED (NZ) 2004-04-21 EP disclosed
WO-2001005411-A1 COMPOSITIONS ADDRESSING INFLAMMATION AND/OR DEGENERATIVE DISORDERS BOMAC LABORATORIES LIMITED (NZ) 2001-01-25 WO disclosed