SCHEMBL7225433

SCHEMBL7225433

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
DPP7 Q9UHL4 2/20 0.36
PAOX Q6QHF9 2/20 0.36
RRM1 P23921 1/20 0.35
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA9 Q16790 3/20 0.30
GSR P00390 1/20 0.30
FOLH1 Q04609 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
TLR2 O60603 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
SCHEMBL7225495 0.85 GNAI3 (0.42) GNAI3GNAO1GNAI1DPP7PAOX
SCHEMBL7227344 0.84 GNAI3 (0.40) GNAI3GNAO1GNAI1DPP7PAOX
SCHEMBL7909580 0.82 MEN1 (0.36) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL7901702 0.80 DPP7 (0.41) GNAI3GNAO1GNAI1DPP7PAOX
SCHEMBL8193777 0.79 DPP7 (0.43) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL7224815 0.76 DPP7 (0.38) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL8201345 0.75 DPP7 (0.37) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL7915399 0.75 NOS2 (0.50) DPP7GSR
SCHEMBL7172385 0.75 NOS2 (0.50) DPP7GSR
SCHEMBL7225427 0.75 FOLH1 (0.43) SIRT6SIRT1FOLH1

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