SCHEMBL7142819

SCHEMBL7142819

C[C@@H](OC(=O)[C@@H](N)CO)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 7/20 0.34
NPY1R P25929 5/20 0.34
OTC P00480 1/20 0.32
NPY2R P49146 4/20 0.32
NPY5R Q15761 4/20 0.32
DDAH1 O94760 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL1965668 0.92 NPY4R (0.38) NPY4RNPY1ROTCNPY2RNPY5R
SCHEMBL2125107 0.90 NPY4R (0.39) NPY4RNPY1ROTCNPY2RNPY5R
Arginine SCHEMBL904454 0.89 OTC (0.41) NPY4RNPY1ROTCNPY2RNPY5R
SCHEMBL3891500 0.85 NPY4R (0.36) NPY4RNPY1ROTCNPY2RNPY5R
Arginine SCHEMBL6130138 0.84 GSR (0.46) NPY4RNPY1ROTCNPY2RNPY5R
Arginine SCHEMBL3520968 0.83 GSR (0.33)
Arginine SCHEMBL10876829 0.81 GSR (0.43) NPY4RNPY1ROTCNPY2RNPY5R
SCHEMBL1964090 0.81 NPY4R (0.34) NPY4RNPY1RNPY2RNPY5R
SCHEMBL4255881 0.81 GSR (0.45) NOS3NOS1NOS2
Threonine SCHEMBL285577 0.80 NPY4R (0.36) NPY4RNPY1ROTCNPY2RNPY5R

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
US-20030166190-A1 Nucleic acids related to plant retroelements NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-09-04 US disclosed