SCHEMBL3649800

SCHEMBL3649800

CCCCC(N)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCC)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.67
NPY1R P25929 7/20 0.67
NPY2R P49146 5/20 0.67
NPY5R Q15761 4/20 0.60
OPRK1 P41145 1/20 0.57
NTSR2 O95665 2/20 0.56
NTSR1 P30989 2/20 0.56
OPRM1 P35372 2/20 0.55
OPRD1 P41143 2/20 0.55

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
SCHEMBL3649802 1.00 NPY4R (0.67) NPY4RNPY1RNPY2RNPY5ROPRK1
SCHEMBL6131648 0.95 OPRK1 (0.60) NPY4RNPY1RNPY2RNPY5ROPRK1
SCHEMBL2064607 0.95 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL6131647 0.95 OPRK1 (0.60) NPY4RNPY1RNPY2RNPY5ROPRK1
SCHEMBL2064604 0.95 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL9197350 0.94 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5ROPRK1
SCHEMBL413803 0.91 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5ROPRK1
SCHEMBL413804 0.91 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5ROPRK1
SCHEMBL29770017 0.91 NTSR2 (0.68) NPY4RNPY1RNPY2RNPY5ROPRK1
SCHEMBL30471386 0.91 NPY4R (0.76) NPY4RNPY1RNPY2RNPY5ROPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173753-A2 LABELLING METHODS GE Healthcare UK Limited (GB) 2010-04-14 EP disclosed
WO-2008155339-A2 LABELLING METHODS GE HEALTHCARE LIMITED (GB) 2008-12-24 WO disclosed
EP-0732944-A4 LABELED CHEMOTACTIC PEPTIDES TO IMAGE FOCAL SITES OF INFECTION OR INFLAMMATION GEN HOSPITAL CORP (US) 2000-06-07 EP disclosed
EP-0732944-A1 LABELED CHEMOTACTIC PEPTIDES TO IMAGE FOCAL SITES OF INFECTION OR INFLAMMATION THE GENERAL HOSPITAL CORPORATION (US) 1996-09-25 EP disclosed
WO-1995011045-A1 LABELED CHEMOTACTIC PEPTIDES TO IMAGE FOCAL SITES OF INFECTION OR INFLAMMATION THE GENERAL HOSPITAL CORPORATION (US) 1995-04-27 WO disclosed