SCHEMBL7901714

SCHEMBL7901714

CC(=NO)N(CCCC[C@H](N)C(=O)O)COC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC7A5 Q01650 3/20 0.37
NOS2 P35228 4/20 0.36
NOS1 P29475 3/20 0.36
NOS3 P29474 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BLM P54132 1/20 0.35
FOLH1 Q04609 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7901710 1.00 SLC1A5 (0.41) SLC1A5TDP1POLBKMT2ASLC7A5
SCHEMBL7901856 0.83 NOS2 (0.42) KMT2ANOS2NOS1NOS3CYP1A2
SCHEMBL7901861 0.83 NOS2 (0.42) KMT2ANOS2NOS1NOS3CYP1A2
SCHEMBL7911433 0.81 NOS2 (0.40) KMT2ANOS2NOS1NOS3CYP1A2
SCHEMBL7911437 0.81 NOS2 (0.40) KMT2ANOS2NOS1NOS3CYP1A2
SCHEMBL7915353 0.80 NOS2 (0.41) KMT2ANOS2NOS1NOS3CYP1A2
SCHEMBL7915359 0.80 NOS2 (0.41) KMT2ANOS2NOS1NOS3CYP1A2
SCHEMBL7912058 0.79 NOS2 (0.39) KMT2ANOS2NOS1NOS3CYP1A2
SCHEMBL7912070 0.79 NOS2 (0.39) KMT2ANOS2NOS1NOS3CYP1A2
SCHEMBL7218978 0.78 SLC1A5 (0.41) SLC1A5TDP1POLBKMT2ASLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP claimed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO claimed
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP disclosed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO disclosed