SCHEMBL8223247

SCHEMBL8223247

C/C(=N/Oc1ccccc1)NCCCC[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTA4H P09960 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ANPEP P15144 2/20 0.40
NOS2 P35228 4/20 0.40
NOS1 P29475 3/20 0.40
NOS3 P29474 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
BLM P54132 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 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
SCHEMBL8223251 1.00 POLB (0.44) POLBKMT2ATDP1LTA4HL3MBTL1
SCHEMBL7908800 0.83 TNF (0.41) POLBKMT2ATDP1NOS2NOS1
SCHEMBL7225511 0.83 TNF (0.41) POLBKMT2ATDP1NOS2NOS1
Hydrochloric Acid SCHEMBL8205619 0.82 NOS2 (0.42) POLBKMT2ATDP1NOS2NOS1
Hydrochloric Acid SCHEMBL8205615 0.82 NOS2 (0.42) POLBKMT2ATDP1NOS2NOS1
SCHEMBL7911885 0.79 NOS2 (0.49) KMT2ANOS2NOS1NOS3CYP1A2
SCHEMBL7226879 0.79 NOS2 (0.49) KMT2ANOS2NOS1NOS3CYP1A2
SCHEMBL7909528 0.78 NOS2 (0.48) KMT2ANOS2NOS1NOS3CYP1A2
SCHEMBL7224528 0.78 NOS2 (0.48) KMT2ANOS2NOS1NOS3CYP1A2
SCHEMBL9121869 0.78 SLC1A3 (0.48) DPP8DPP7SIRT1SLC1A3

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