SCHEMBL8201198

SCHEMBL8201198

CC(=N)N(CCCC[C@H](N)C(=O)O)OC(=O)CS

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.44
NOS1 P29475 6/20 0.44
NOS3 P29474 5/20 0.44
ARG2 P78540 4/20 0.40
ARG1 P05089 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
GSR P00390 1/20 0.39
BLM P54132 1/20 0.38
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
DDAH1 O94760 1/20 0.34
PMP22 Q01453 1/20 0.33

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
SCHEMBL7220222 0.86 NOS2 (0.49) NOS2NOS1NOS3ARG2ARG1
SCHEMBL7912026 0.83 NOS2 (0.47) NOS2NOS1NOS3ARG2ARG1
SCHEMBL7911865 0.81 NOS2 (0.44) NOS2NOS1NOS3ARG2ARG1
SCHEMBL7908808 0.81 NOS2 (0.44) NOS2NOS1NOS3ARG2ARG1
SCHEMBL7901737 0.77 NOS1 (0.41) NOS2NOS1NOS3CYP1A2CYP3A4
SCHEMBL7911875 0.74 NOS3 (0.43) NOS2NOS1NOS3CYP1A2CYP3A4
SCHEMBL7220293 0.73 NOS2 (0.54) NOS2NOS1NOS3ARG2ARG1
SCHEMBL7911979 0.72 L3MBTL1 (0.44) NOS2NOS1NOS3KMT2A
Hydrochloric Acid SCHEMBL8201921 0.71 L3MBTL1 (0.43) NOS2NOS1NOS3KMT2A
SCHEMBL7226686 0.70 NOS2 (0.50) NOS2NOS1NOS3ARG2ARG1

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