SCHEMBL8082406

SCHEMBL8082406

COC(=O)CC(N)Cc1cccc(NC(=N)N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
SLC7A5 Q01650 2/20 0.45
F2 P00734 5/20 0.43
F10 P00742 5/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
PRSS1 P07477 4/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
ANPEP P15144 1/20 0.39
ENPEP Q07075 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8075751 0.86 NOS3 (0.50) NOS3NOS1NOS2F10PRSS1
SCHEMBL1162624 0.86 NOS3 (0.50) NOS3NOS1NOS2F10PRSS1
SCHEMBL9017525 0.83 NOS3 (0.39) NOS3NOS1NOS2SLC7A5F2
SCHEMBL8082410 0.81 SLC7A5 (0.43) NOS3NOS1NOS2SLC7A5F2
SCHEMBL20715034 0.80 NOS3 (0.59) NOS3NOS1NOS2SLC7A5SLC1A2
SCHEMBL27999753 0.79 ITGB3 (0.50) NOS3NOS1NOS2ANPEPENPEP
SCHEMBL289140 0.79 ITGB3 (0.50) NOS3NOS1NOS2ANPEPENPEP
SCHEMBL24704906 0.78 SLC7A5 (0.50) SLC7A5ANPEPENPEPLMNAPARP10
SCHEMBL287831 0.78 NOS3 (0.70) NOS3NOS1NOS2SLC7A5ITGB3
SCHEMBL22255875 0.78 SLC7A5 (0.50) SLC7A5ANPEPENPEPLMNAPARP10

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-6143790-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 US disclosed
EP-0749418-B1 L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-08-30 EP disclosed
WO-1995024382-A1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-14 WO disclosed