SCHEMBL7225495

SCHEMBL7225495

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
DPP7 Q9UHL4 2/20 0.36
PAOX Q6QHF9 2/20 0.36
CYP1A2 P05177 1/20 0.36
TLR2 O60603 6/20 0.35
RRM1 P23921 1/20 0.35
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
GSR P00390 1/20 0.33
FOLH1 Q04609 1/20 0.33
NOS1 P29475 1/20 0.31
KDM4A O75164 1/20 0.31
HIF1A Q16665 1/20 0.31
TET2 Q6N021 1/20 0.31
DOHH Q9BU89 1/20 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
SCHEMBL7225433 0.85 GNAI3 (0.39) GNAI3GNAO1GNAI1DPP7PAOX
SCHEMBL7227344 0.84 GNAI3 (0.40) GNAI3GNAO1GNAI1DPP7PAOX
SCHEMBL7909580 0.80 MEN1 (0.36) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL7901702 0.80 DPP7 (0.41) GNAI3GNAO1GNAI1DPP7PAOX
SCHEMBL8759024 0.79 GSR (0.52) GNAI3GNAO1GNAI1DPP7CYP1A2
SCHEMBL8193777 0.79 DPP7 (0.43) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL27972337 0.78 CYP1A2 (0.47) GNAI3GNAO1GNAI1DPP7CYP1A2
SCHEMBL7224815 0.76 DPP7 (0.38) GNAI3GNAO1GNAI1DPP7CYP1A2
SCHEMBL1065054 0.76 GSR (0.52) GNAI3GNAO1GNAI1DPP7PAOX
SCHEMBL8950857 0.76 GSR (0.52) GNAI3GNAO1GNAI1DPP7CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed