SCHEMBL7543442

SCHEMBL7543442

N=C(N)NCCC(N)C(=O)OC(=O)[C@@H](N)CCCCN

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
MMP2 P08253 1/20 0.35
TERT O14746 4/20 0.34
DPP7 Q9UHL4 6/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
TLR2 O60603 2/20 0.34
NPY4R P50391 2/20 0.34
NPY1R P25929 1/20 0.34
NOS1 P29475 1/20 0.33
DPP4 P27487 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 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
SCHEMBL301607 0.94 GNAI3 (0.46) GSRGNAI3GNAO1GNAI1MMP2
SCHEMBL11660913 0.94 GNAI3 (0.46) GSRGNAI3GNAO1GNAI1MMP2
SCHEMBL2057401 0.93 GNAI3 (0.44) GSRGNAI3GNAO1GNAI1MMP2
SCHEMBL769420 0.89 GNAI3 (0.40) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL288133 0.85 NPY4R (0.39) GNAI3GNAO1GNAI1DPP7NPY4R
SCHEMBL9237239 0.85 NPY4R (0.39) GNAI3GNAO1GNAI1DPP7NPY4R
SCHEMBL28712062 0.85 NPY4R (0.39) GNAI3GNAO1GNAI1DPP7NPY4R
Lysine SCHEMBL7543431 0.84 GSR (0.65) GSRGNAI3GNAO1GNAI1NOS1
Lysine SCHEMBL7543435 0.84 GSR (0.65) GSRGNAI3GNAO1GNAI1NOS1
SCHEMBL6535302 0.84 GSR (0.45) GSRGNAI3GNAO1GNAI1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049301-A1 Short peptides which selectively modulate the activity of serine/threonine kinases THE CHILDREN'S MEDICAL CENTER CORP. (US) 2002-04-25 US claimed
US-6174993-B1 DERIVATIVE OF HJ LOOP WHICH IS 5 TO 20 AMINO ACIDS LONG; ANTICARCINOGENIC AGENTS; ANTIINFLAMMATORY AGENTS; ANTIDIABETIC AGENTS; TREATMENT OF OBESITY, AUTOIMMUNE DISORDERS, AND CARDIOVASCULAR DISORDERS THE CHILDREN'S MEDICAL CENTER CORP. 2001-01-16 US claimed
EP-0983346-A2 SHORT PEPTIDES WHICH SELECTIVELY MODULATE THE ACTIVITY OF SERINE/THREONINE KINASES The Children's Medical Center Corporation (US) 2000-03-08 EP claimed
WO-1998053050-A2 SHORT PEPTIDES WHICH SELECTIVELY MODULATE THE ACTIVITY OF SERINE/THREONINE KINASES THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1998-11-26 WO claimed