SCHEMBL5582797

SCHEMBL5582797

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 1/20 0.44
NPY4R P50391 9/20 0.41
NPY1R P25929 5/20 0.41
NPY2R P49146 4/20 0.41
NPY5R Q15761 4/20 0.41
MMP2 P08253 1/20 0.41
TERT O14746 2/20 0.40
SSTR3 P32745 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GLA P06280 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL15286730 1.00 PDF (0.44) PDFNPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL4449414 0.99 PDF (0.44) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL38651683 0.96 PDF (0.51) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL15923684 0.94 PDF (0.42) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL1779020 0.94 PDF (0.42) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL1780776 0.92 PDF (0.46) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL16446037 0.91 PDF (0.50) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL30073980 0.90 SSTR3 (0.47) PDFMMP2SSTR3ALDH1A1MAPT
SCHEMBL5756647 0.90 PDF (0.45) PDFNPY4RNPY1RNPY2RNPY5R
SCHEMBL30931251 0.89 PDF (0.44) PDFNPY4RNPY1RNPY2RNPY5R

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
EP-1807082-A2 FACTOR XA COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-18 EP disclosed
WO-2006047415-A2 FACTOR XA COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed