SCHEMBL8722659

SCHEMBL8722659

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 1/20 0.48
▸ NPY4R P50391 11/20 0.42
▸ NPY1R P25929 6/20 0.42
▸ NPY2R P49146 4/20 0.42
▸ NPY5R Q15761 4/20 0.42
▸ SSTR3 P32745 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL16446037 0.94 PDF (0.50) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL29699868 0.93 PDF (0.47) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL8723156 0.90 PDF (0.52) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL11369990 0.89 PDF (0.58) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL3688868 0.88 SSTR3 (0.52) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL11361946 0.88 SSTR3 (0.51) PDFNPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL6383627 0.87 SSTR3 (0.51) PDFNPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL31023226 0.87 SSTR3 (0.51) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL8089028 0.87 PDF (0.47) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL29700074 0.87 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5R

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
EP-0868191-A1 POTENTIATION OF COMPLEMENT AND COAGULATION INHIBITORY PROPERTIES OF C1-INHIBITOR. Stichting Sanquin Bloedvoorziening (NL) 1998-10-07 — — EP disclosed
WO-1997022347-A1 POTENTIATION OF COMPLEMENT AND COAGULATION INHIBITORY PROPERTIES OF C1-INHIBITOR. STICHTING SANQUIN BLOEDVOORZIENING (NL) 1997-06-26 — — WO disclosed
US-4257939-A SUBSTRATES FOR DETERMINING ENZYME ACTIVITY AJINOMOTO CO., INC. (JP) 1981-03-24 — — US disclosed
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