SCHEMBL7219144

SCHEMBL7219144

CC(=NO)OC(=O)[C@H](CCCCN)NCOC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.37
TLR2 O60603 6/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CPB1 P15086 1/20 0.35
CPB2 Q96IY4 1/20 0.35
F2 P00734 1/20 0.35
KLKB1 P03952 1/20 0.35
PLG P00747 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7218414 0.81 SIRT6 (0.35) ANPEPTLR2CPB2
SCHEMBL7219614 0.79 FOLH1 (0.33) CPB2
SCHEMBL7225467 0.79 FOLH1 (0.35) CPB2
SCHEMBL7224733 0.76 TDP1 (0.36) ANPEPADRB2ADRB1ADRB3TDP1
SCHEMBL7908742 0.75 FOLH1 (0.41) TLR2ADRB2ADRB1ADRB3CPB1
SCHEMBL7908736 0.75 FOLH1 (0.41) TLR2ADRB2ADRB1ADRB3CPB1
SCHEMBL27446069 0.72 ITGB3 (0.50)
SCHEMBL27446068 0.72 ITGB3 (0.50)
SCHEMBL7225506 0.70 MMP2 (0.44) MMP2MMP9CPB1CPB2
SCHEMBL7225509 0.70 MMP2 (0.44) MMP2MMP9CPB1CPB2

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-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