SCHEMBL7218185

SCHEMBL7218185

CNC(=O)OCNCCCC[C@H](N/C(C)=N/O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 12/20 0.39
TGM2 P21980 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL7219493 0.87 FOLH1 (0.43) FOLH1TGM2SMN1; SMN2CD274
SCHEMBL7220594 0.85 FOLH1 (0.41) FOLH1SMN1; SMN2
SCHEMBL7911902 0.81 FOLH1 (0.40) FOLH1TGM2SMN1; SMN2SIRT2SIRT1
SCHEMBL7911894 0.81 FOLH1 (0.40) FOLH1TGM2SMN1; SMN2SIRT2SIRT1
SCHEMBL7224728 0.80 FOLH1 (0.43) FOLH1CD274SIRT2SIRT1
SCHEMBL8707548 0.75 FOLH1 (0.40) FOLH1TGM2SMN1; SMN2SIRT2SIRT1
SCHEMBL7218187 0.73
SCHEMBL7915383 0.71 FOLH1 (0.56) FOLH1SMN1; SMN2
SCHEMBL7915392 0.71 FOLH1 (0.56) FOLH1SMN1; SMN2
SCHEMBL7172377 0.71 FOLH1 (0.57) FOLH1SIRT1

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