SCHEMBL9314458

SCHEMBL9314458

N=C(N)NCCC[C@H](N)C(=O)OC(=O)[C@@H](N)CC(=O)O.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.35
NPY4R P50391 7/20 0.35
NPY1R P25929 5/20 0.35
DDAH1 O94760 1/20 0.34
NPY2R P49146 4/20 0.33
NPY5R Q15761 4/20 0.33
DPP7 Q9UHL4 1/20 0.33
ALOX15 P16050 1/20 0.32
ITGB3 P05106 4/20 0.32
ITGA2B P08514 4/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL26104827 0.99 OTC (0.36) OTCNPY4RNPY1RDDAH1NPY2R
Arginine SCHEMBL21592228 0.94 OTC (0.43) OTCNPY4RNPY1RDDAH1ALOX15
Arginine SCHEMBL21592230 0.94 OTC (0.43) OTCNPY4RNPY1RDDAH1ALOX15
SCHEMBL28712062 0.89 NPY4R (0.39) OTCNPY4RNPY1RDDAH1NPY2R
SCHEMBL288133 0.89 NPY4R (0.39) OTCNPY4RNPY1RDDAH1NPY2R
SCHEMBL9237239 0.89 NPY4R (0.39) OTCNPY4RNPY1RDDAH1NPY2R
SCHEMBL2474862 0.88 NPY4R (0.36) OTCNPY4RNPY1RDDAH1NPY2R
Hydrochloric Acid SCHEMBL8039440 0.88 NPY4R (0.38) OTCNPY4RNPY1RDDAH1NPY2R
Hydrochloric Acid SCHEMBL8040222 0.88 NPY4R (0.38) OTCNPY4RNPY1RDDAH1NPY2R
Malic Acid SCHEMBL11164058 0.88 SMN1; SMN2 (0.40) OTCNPY4RNPY1RDDAH1NPY2R

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-5298621-A Peptides endcapped with purine derivative SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1994-03-29 US disclosed