SCHEMBL7909613

SCHEMBL7909613

C/C(=N\O)NCCCC[C@@](N)(CO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 16/20 0.47
ARG2 P78540 8/20 0.47
ODC1 P11926 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 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
SCHEMBL7909617 1.00 ARG1 (0.47) ARG1ARG2ODC1KDM4EMAPK1
SCHEMBL7219328 0.81 ARG1 (0.47) ARG1ARG2KDM4EMAPK1HIF1A
SCHEMBL7219330 0.81 ARG1 (0.47) ARG1ARG2KDM4EMAPK1HIF1A
SCHEMBL7909629 0.81 ARG1 (0.47) ARG1ARG2KDM4EMAPK1HIF1A
SCHEMBL7225543 0.76 ARG1 (0.45) ARG1ARG2KDM4EMAPK1HIF1A
SCHEMBL7225545 0.76 ARG1 (0.45) ARG1ARG2KDM4EMAPK1HIF1A
Hydrochloric Acid SCHEMBL8201266 0.75 ARG1 (0.44) ARG1ARG2KDM4EMAPK1HIF1A
Hydrochloric Acid SCHEMBL8201268 0.75 ARG1 (0.44) ARG1ARG2KDM4EMAPK1HIF1A
SCHEMBL7198302 0.69 ARG1 (0.63) ARG1ARG2ODC1KDM4E
SCHEMBL3108002 0.69 ARG2 (0.58) ARG1ARG2ODC1

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
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