SCHEMBL7172385

SCHEMBL7172385

CC(=NO)NCCCC[C@H](N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.50
NOS1 P29475 4/20 0.50
NOS3 P29474 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.49
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
GSR P00390 1/20 0.47
OTC P00480 1/20 0.46
NOD1 Q9Y239 2/20 0.44
DDAH1 O94760 2/20 0.44
DPP7 Q9UHL4 1/20 0.44
ARG1 P05089 3/20 0.43
ARG2 P78540 3/20 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
SCHEMBL7915399 1.00 NOS2 (0.50) NOS2NOS1NOS3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7218895 0.98 NOS2 (0.51) NOS2NOS1NOS3CYP1A2CYP3A4
SCHEMBL7227260 0.85 DPP7 (0.42) NOS2NOS1NOS3CYP1A2CYP3A4
SCHEMBL7227075 0.85 NOD1 (0.50) NOD1DPP7
SCHEMBL7227064 0.85 NOD1 (0.50) NOD1DPP7
SCHEMBL7221210 0.84 DPP7 (0.43) NOS2NOS1NOS3CYP1A2CYP3A4
SCHEMBL7221219 0.84 DPP7 (0.43) NOS2NOS1NOS3CYP1A2CYP3A4
SCHEMBL9296642 0.84 NOS2 (0.47) NOS2NOS1NOS3CYP1A2CYP3A4
SCHEMBL7227262 0.83 DPP7 (0.37) NOS2NOS1NOS3CYP1A2CYP3A4
SCHEMBL7908788 0.83 NOS2 (0.46) NOS2NOS1NOS3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966286-B1 ATTENUATION OF OPIOID TOLERANCE BY INHIBITING INDUCIBLE NITRIC OXIDE SYNTHASE PATHWAYS IN THE TREATMENT OF PAIN SEARLE & CO (US) 2003-07-30 EP claimed
JP-2001508444-A 2001-06-26 JP claimed
US-6207708-B1 FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, G. D. SEARLE & COMPANY 2001-03-27 US claimed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP claimed
EP-0966286-A1 ATTENUATION OF OPIOID TOLERANCE BY INHIBITING INDUCIBLE NITRIC OXIDE SYNTHASE PATHWAYS IN THE TREATMENT OF PAIN G.D. SEARLE & CO. (US) 1999-12-29 EP claimed
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP claimed
WO-1998030220-A1 ATTENUATION OF OPIOID TOLERANCE BY INHIBITING INDUCIBLE NITRIC OXIDE SYNTHASE PATHWAYS IN THE TREATMENT OF PAIN G.D. SEARLE & CO. (US) 1998-07-16 WO claimed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO claimed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO claimed
US-6576780-B1 Hydroxyamidino derivatives useful as nitric oxide synthase inhibitors GD SEARLE & COMPANY 2003-06-10 US disclosed
US-6207708-B1 FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, G. D. SEARLE & COMPANY 2001-03-27 US disclosed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP disclosed
EP-0966286-A1 ATTENUATION OF OPIOID TOLERANCE BY INHIBITING INDUCIBLE NITRIC OXIDE SYNTHASE PATHWAYS IN THE TREATMENT OF PAIN G.D. SEARLE & CO. (US) 1999-12-29 EP disclosed
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP disclosed
WO-1998030220-A1 ATTENUATION OF OPIOID TOLERANCE BY INHIBITING INDUCIBLE NITRIC OXIDE SYNTHASE PATHWAYS IN THE TREATMENT OF PAIN G.D. SEARLE & CO. (US) 1998-07-16 WO disclosed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO disclosed