SCHEMBL27779867

SCHEMBL27779867

N=C(N)NCCC[C@H](N)C(=O)Oc1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 10/20 0.39
▸ NPY1R P25929 6/20 0.39
▸ NPY2R P49146 4/20 0.37
▸ NPY5R Q15761 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PRSS1 P07477 3/20 0.33
▸ PRSS2 P07478 3/20 0.33
▸ PRSS3 P35030 3/20 0.33
▸ F2 P00734 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PARP10 Q53GL7 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
SCHEMBL7780232 0.88 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7780233 0.88 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5R
SCHEMBL1551972 0.84 SLC7A5 (0.47) NPY4RNPY1RNPY2RNPY5R
SCHEMBL1231526 0.83 SLC7A5 (0.47) NPY4RNPY1RNPY2RNPY5R
Lactic Acid SCHEMBL20702219 0.82 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5RGAA
Glycine SCHEMBL5579222 0.81 ITGB3 (0.45) NPY4RNPY1RNPY2RNPY5R
SCHEMBL13416870 0.81 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5R
SCHEMBL15989336 0.81 PARP10 (0.48) NPY4RNPY1RNPY2RNPY5RMAPT
Phenethylamine SCHEMBL1663279 0.80 NPC1 (0.39) GAAPRSS1SMN1; SMN2
Phenethylamine SCHEMBL1661930 0.80 NPC1 (0.39) GAAPRSS1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101694485-B Method for utilizing affinity column to analyze holoprotein UNIV SHANGHAI JIAOTONG 2013-01-16 — — CN disclosed
CN-101694485-A Method for utilizing affinity column to analyze holoprotein UNIV SHANGHAI JIAOTONG 2010-04-14 — — CN disclosed
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