SCHEMBL7225543

SCHEMBL7225543

C/C(=N\O)NCCCC(C)(N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.45
ARG2 P78540 1/20 0.45
GGT1 P19440 1/20 0.41
KDM4C Q9H3R0 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
PAOX Q6QHF9 2/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
BLM P54132 1/20 0.30
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL7225545 1.00 ARG1 (0.45) ARG1ARG2GGT1KDM4CKDM4E
Hydrochloric Acid SCHEMBL8201266 0.98 ARG1 (0.44) ARG1ARG2GGT1KDM4CKDM4E
Hydrochloric Acid SCHEMBL8201268 0.98 ARG1 (0.44) ARG1ARG2GGT1KDM4CKDM4E
SCHEMBL7909629 0.95 ARG1 (0.47) ARG1ARG2GGT1KDM4CKDM4E
SCHEMBL7219328 0.95 ARG1 (0.47) ARG1ARG2GGT1KDM4CKDM4E
SCHEMBL7219330 0.95 ARG1 (0.47) ARG1ARG2GGT1KDM4CKDM4E
SCHEMBL1455221 0.79 ARG1 (0.50) ARG1ARG2GGT1KDM4CKDM4E
SCHEMBL20978268 0.79 ARG1 (0.50) ARG1ARG2GGT1KDM4CKDM4E
SCHEMBL1504428 0.79 ARG1 (0.50) ARG1ARG2GGT1KDM4CKDM4E
SCHEMBL7220580 0.78 GGT1 (0.32) GGT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 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
US-5981511-A AN ENZYME INHIBITOR FOR REDUCING NITRIC OXIDE, TREATING HYPOTENSION SUCH AS TOXIC SHOCK AND THERAPY WITH CERTAIN CYTOKINES G.D. SEARLE & CO. (US) 1999-11-09 US disclosed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed