SCHEMBL7218263

SCHEMBL7218263

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 12/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
TGM2 P21980 4/20 0.32
ALB P02768 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 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
SCHEMBL7226860 0.83 FOLH1 (0.47) FOLH1SIRT1
SCHEMBL7226858 0.83 FOLH1 (0.47) FOLH1SIRT1
SCHEMBL7225560 0.83 FOLH1 (0.42) FOLH1SMN1; SMN2TGM2ALBSIRT2
SCHEMBL7909555 0.82 FOLH1 (0.42) FOLH1SMN1; SMN2TGM2ALB
SCHEMBL7908794 0.75 C3AR1 (0.41) FOLH1SMN1; SMN2
SCHEMBL7218185 0.71 FOLH1 (0.39) FOLH1SMN1; SMN2TGM2SIRT2SIRT1
SCHEMBL7226873 0.70 FOLH1 (0.50) FOLH1SIRT1
SCHEMBL7226878 0.70 FOLH1 (0.50) FOLH1SIRT1
SCHEMBL7226863 0.70 NOS2 (0.46)
SCHEMBL7911329 0.70 NOS2 (0.46)

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