SCHEMBL8730134

SCHEMBL8730134

CCCCNC(=N)NCCC[C@H](N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.52
DPP7 Q9UHL4 2/20 0.51
OTC P00480 1/20 0.50
DDAH1 O94760 3/20 0.45
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
NOS1 P29475 2/20 0.45
NOS3 P29474 1/20 0.45
NOS2 P35228 1/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
SLC1A3 P43003 1/20 0.45
RRM1 P23921 1/20 0.44
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
GSR P00390 1/20 0.43

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
SCHEMBL29551297 0.95 DPP7 (0.54) NOD1DPP7OTCDDAH1GNAI3
SCHEMBL21111056 0.95 DPP7 (0.58) NOD1DPP7OTCDDAH1GNAI3
SCHEMBL3508097 0.93 OTC (0.50) NOD1DPP7OTCDDAH1GNAI3
SCHEMBL1004634 0.93 OTC (0.50) NOD1DPP7OTCDDAH1GNAI3
Hydrochloric Acid SCHEMBL30271216 0.92 OTC (0.49) NOD1DPP7OTCDDAH1GNAI3
SCHEMBL12028765 0.90 OTC (0.50) NOD1DPP7OTCDDAH1NOS1
SCHEMBL21089975 0.90 OTC (0.50) NOD1DPP7OTCDDAH1NOS1
SCHEMBL1343416 0.87 DPP7 (0.53) NOD1DPP7GNAI3GNAO1GNAI1
Arginine SCHEMBL10709714 0.86 NOD1 (0.44) NOD1DPP7OTCDDAH1GNAI3
Arginine SCHEMBL6242153 0.85 DPP7 (0.54) NOD1DPP7OTCDDAH1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663826-B1 AMINO ACIDS CONTAINING PARENTERAL FORMULATIONS FOR THE TREATMENT OF HYPOTENSION AND RELATED PATHOLOGIES UNIV TEXAS (US) 1998-12-23 EP disclosed
EP-0663826-A1 AMINO ACIDS CONTAINING PARENTERAL FORMULATIONS FOR THE TREATMENT OF HYPOTENSION AND RELATED PATHOLOGIES THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-07-26 EP disclosed
WO-1993005780-A1 AMINO ACIDS CONTAINING PARENTERAL FORMULATIONS FOR THE TREATMENT OF HYPOTENSION AND RELATED PATHOLOGIES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-04-01 WO disclosed