SCHEMBL27740316

SCHEMBL27740316

NC(CS)C(=O)N(CC(=O)O)C(=O)C1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.33
CPN1 P15169 2/20 0.33
CPB2 Q96IY4 2/20 0.33
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
ANPEP P15144 1/20 0.30
ENPEP Q07075 1/20 0.30

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
SCHEMBL16620345 0.85 SCN4A (0.38) SCN4ANOS2NOS3NOS1
SCHEMBL1369574 0.85 SLC7A5 (0.35) SCN4ANOS2
SCHEMBL10793329 0.83 GSR (0.38) SCN4A
SCHEMBL3359438 0.81 SCN4A (0.42) SCN4ANOS2NOS3NOS1
SCHEMBL10791037 0.81 CTSC (0.47) SCN4ACPB2PTGS1
SCHEMBL2952396 0.79 DPP4 (0.35) SCN4ANOS2NOS3NOS1
SCHEMBL8567463 0.76 SCN4A (0.37) SCN4ANOS2NOS3NOS1
Proline SCHEMBL15050063 0.73 PTGS1 (0.52) CPN1CPB2NOS2NOS3NOS1
Proline SCHEMBL51269 0.73 PTGS1 (0.52) CPN1CPB2NOS2NOS3NOS1
Proline SCHEMBL1298202 0.73 PTGS1 (0.52) CPN1CPB2NOS2NOS3NOS1

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
CN-101434645-A Synthetic oligopeptide and uses thereof UNIV CHINA AGRICULTURAL (CN) 2009-05-20 CN claimed
CN-101434645-B Synthetic oligopeptide and uses thereof UNIV CHINA AGRICULTURAL 2013-01-16 CN disclosed
CN-101434645-A Synthetic oligopeptide and uses thereof UNIV CHINA AGRICULTURAL (CN) 2009-05-20 CN disclosed