SCHEMBL6535302

SCHEMBL6535302

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.45
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
OTC P00480 1/20 0.36
DDAH1 O94760 2/20 0.35
TLR2 O60603 2/20 0.34
NPY4R P50391 5/20 0.34
NPY1R P25929 3/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
MMP2 P08253 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
NPY2R P49146 2/20 0.32
NPY5R Q15761 2/20 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
Arginine SCHEMBL1278093 0.93 GSR (0.43) GSRGNAI3GNAO1GNAI1OTC
Glycine SCHEMBL7934640 0.92 GSR (0.38) GSRGNAI3GNAO1GNAI1OTC
SCHEMBL301607 0.90 GNAI3 (0.46) GSRGNAI3GNAO1GNAI1OTC
SCHEMBL11660913 0.90 GNAI3 (0.46) GSRGNAI3GNAO1GNAI1OTC
SCHEMBL2899157 0.90 OTC (0.43) GSROTCDDAH1NPY4RNPY1R
SCHEMBL2057401 0.88 GNAI3 (0.44) GSRGNAI3GNAO1GNAI1OTC
Lysine SCHEMBL5579150 0.88 GSR (0.49) GSRGNAI3GNAO1GNAI1OTC
Arginine SCHEMBL1278143 0.88 GSR (0.49) GSRGNAI3GNAO1GNAI1OTC
Lysine SCHEMBL16762313 0.87 GSR (0.39) GSRGNAI3GNAO1GNAI1OTC
Glutamine SCHEMBL9393966 0.86 GSR (0.42) GSRGNAI3GNAO1GNAI1OTC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043987-A4 USE OF SERINE PROTEASE INHIBITORS TO INHIBIT PATHOPHYSIOLOGY AND NEUROPATHOLOGY IN A HOST THURIS CORPORATION (US) 2004-03-31 EP disclosed
US-20030144212-A1 USE OF SERINE PROTEASE INHIBITORS TO INHIBIT PATHOPHYSIOLOGY AND NEUROPATHOLOGY IN A HOST THURIS CORPORATION 2003-07-31 US disclosed
US-6486303-B1 Method for making hormone heterodimers UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY 2002-11-26 US disclosed
EP-1043987-A1 USE OF SERINE PROTEASE INHIBITORS TO INHIBIT PATHOPHYSIOLOGY AND NEUROPATHOLOGY IN A HOST Hoffman, Keith B. (US) 2000-10-18 EP disclosed
WO-1999034789-A1 USE OF SERINE PROTEASE INHIBITORS TO INHIBIT PATHOPHYSIOLOGY AND NEUROPATHOLOGY IN A HOST HOFFMAN KEITH B (US) 1999-07-15 WO disclosed