SCHEMBL7909629

SCHEMBL7909629

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.47
ARG2 P78540 2/20 0.47
GGT1 P19440 1/20 0.40
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
PAOX Q6QHF9 2/20 0.33
ADRA1A P35348 1/20 0.33
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
MAPT P10636 1/20 0.31
SPHK1 Q9NYA1 3/20 0.31

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
SCHEMBL7219330 1.00 ARG1 (0.47) ARG1ARG2GGT1KDM4EMAPK1
SCHEMBL7219328 1.00 ARG1 (0.47) ARG1ARG2GGT1KDM4EMAPK1
SCHEMBL7225545 0.95 ARG1 (0.45) ARG1ARG2GGT1KDM4EMAPK1
SCHEMBL7225543 0.95 ARG1 (0.45) ARG1ARG2GGT1KDM4EMAPK1
Hydrochloric Acid SCHEMBL8201268 0.94 ARG1 (0.44) ARG1ARG2GGT1KDM4EMAPK1
Hydrochloric Acid SCHEMBL8201266 0.94 ARG1 (0.44) ARG1ARG2GGT1KDM4EMAPK1
SCHEMBL29378890 0.83 KDM4E (0.54) ARG1ARG2GGT1KDM4EMAPK1
SCHEMBL7909613 0.81 ARG1 (0.47) ARG1ARG2KDM4EMAPK1HIF1A
SCHEMBL7909617 0.81 ARG1 (0.47) ARG1ARG2KDM4EMAPK1HIF1A
SCHEMBL2757819 0.80 ARG1 (0.54) ARG1ARG2GGT1KDM4EMAPK1

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