SCHEMBL8201903

SCHEMBL8201903

CCOC(=O)[C@H](CCCCNC(C)=NO)NC(=O)CCCN

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
NOD1 Q9Y239 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
TLR2 O60603 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRM1 Q13255 1/20 0.37
EPHX2 P34913 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7909709 0.87 SLC6A5 (0.51) NOD1SIRT6SIRT1SLC6A5NMT2
SCHEMBL7225493 0.87 SLC6A5 (0.51) NOD1SIRT6SIRT1SLC6A5NMT2
SCHEMBL8224459 0.85 SIRT6 (0.40) KMT2APOLBNOD1L3MBTL1SIRT6
SCHEMBL8193137 0.84 SIRT1 (0.39) KMT2APOLBNOD1L3MBTL1SIRT6
SCHEMBL8193831 0.78 CYP1A2 (0.50) KMT2APOLBCYP1A2
SCHEMBL8201070 0.76 NOD1 (0.39) KMT2APOLBNOD1SIRT6SIRT1
SCHEMBL2436856 0.76 NOD1 (0.65) KMT2APOLBNOD1L3MBTL1SIRT6
SCHEMBL3167324 0.76 NOD1 (0.65) KMT2APOLBNOD1L3MBTL1SIRT6
SCHEMBL8193777 0.76 DPP7 (0.43) NOD1
Hydrochloric Acid SCHEMBL4931989 0.75 NOD1 (0.63) KMT2APOLBNOD1L3MBTL1SIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP claimed