SCHEMBL8164682

SCHEMBL8164682

N=C(N)NCCC[C@@H](NO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.40
OTC P00480 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOD1 Q9Y239 2/20 0.36
GNPAT O15228 1/20 0.36
FOLH1 Q04609 2/20 0.36
NPY4R P50391 7/20 0.35
NPY1R P25929 5/20 0.35
NPY5R Q15761 5/20 0.35
NPY2R P49146 3/20 0.35
DDAH1 O94760 1/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 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
SCHEMBL466294 1.00 C3AR1 (0.40) C3AR1OTCITGB3ITGA2BALOX15
SCHEMBL117141 1.00 C3AR1 (0.40) C3AR1OTCITGB3ITGA2BALOX15
Acetic Acid SCHEMBL2304560 0.95 FOLH1 (0.39) C3AR1OTCITGB3ITGA2BALOX15
SCHEMBL27532875 0.95 FOLH1 (0.41) C3AR1OTCITGB3ITGA2BALOX15
SCHEMBL564120 0.95 FOLH1 (0.41) C3AR1OTCITGB3ITGA2BALOX15
SCHEMBL30516542 0.89 TGFBR1 (0.33) C3AR1OTCITGB3ITGA2BALOX15
SCHEMBL1799746 0.87 NPY4R (0.39) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL29836396 0.87 ALOX15 (0.39) C3AR1OTCITGB3ITGA2BALOX15
SCHEMBL30068909 0.87 ALOX15 (0.39) C3AR1OTCITGB3ITGA2BALOX15
SCHEMBL1799745 0.87 NPY4R (0.39) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2

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
WO-2000010546-A2 D-ARGININE FOR THE TREATMENT OF NEORODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2000-03-02 WO disclosed