SCHEMBL11369990

SCHEMBL11369990

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 1/20 0.58
▸ SSTR3 P32745 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ NPY4R P50391 11/20 0.46
▸ NPY1R P25929 6/20 0.46
▸ NPY2R P49146 4/20 0.46
▸ NPY5R Q15761 4/20 0.46
▸ LTA4H P09960 1/20 0.40
▸ TERT O14746 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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 0.95 PDF (0.50) PDFSSTR3MMP2NPY4RNPY1R
SCHEMBL29699868 0.91 PDF (0.47) PDFSSTR3MMP2NPY4RNPY1R
SCHEMBL8722659 0.89 PDF (0.48) PDFSSTR3NPY4RNPY1RNPY2R
SCHEMBL30999021 0.88 NPY4R (0.49) PDFSSTR3NPY4RNPY1RNPY2R
SCHEMBL8723156 0.87 PDF (0.52) PDFSSTR3NPY4RNPY1RNPY2R
SCHEMBL1663791 0.87 MMP2 (0.46) PDFMMP2ALDH1A1LMNAMAPT
SCHEMBL10448234 0.87 MMP2 (0.46) PDFMMP2ALDH1A1LMNAMAPT
SCHEMBL15286730 0.87 PDF (0.44) PDFSSTR3MMP2NPY4RNPY1R
SCHEMBL5582797 0.87 PDF (0.44) PDFSSTR3MMP2NPY4RNPY1R
Hydrochloric Acid SCHEMBL4449414 0.86 PDF (0.44) PDFSSTR3MMP2NPY4RNPY1R

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-4257939-A SUBSTRATES FOR DETERMINING ENZYME ACTIVITY AJINOMOTO CO., INC. (JP) 1981-03-24 — — US disclosed
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