SCHEMBL28745904

SCHEMBL28745904

CC(NC(=O)C(N)CCCNC(=N)N)c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 14/20 0.57
▸ NPY1R P25929 10/20 0.57
▸ NPY5R Q15761 9/20 0.57
▸ NPY2R P49146 5/20 0.57
▸ TLR2 O60603 1/20 0.42

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
SCHEMBL7023009 0.83 METAP2 (0.50) NPY4RNPY1RNPY5RNPY2R
SCHEMBL27536891 0.82 TLR2 (0.46) NPY4RNPY1RNPY5RNPY2RTLR2
SCHEMBL27536888 0.82 TLR2 (0.46) NPY4RNPY1RNPY5RNPY2RTLR2
SCHEMBL1593464 0.80 NPY1R (0.70) NPY4RNPY1RNPY5RNPY2R
SCHEMBL28032820 0.80 NPY1R (0.70) NPY4RNPY1RNPY5RNPY2R
SCHEMBL28745902 0.79 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2R
SCHEMBL370279 0.79 NPY4R (0.78) NPY4RNPY1RNPY5RNPY2R
SCHEMBL14520583 0.79 NPY4R (0.78) NPY4RNPY1RNPY5RNPY2R
SCHEMBL13188655 0.79 NPY4R (0.78) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29641081 0.79 NPY4R (0.78) NPY4RNPY1RNPY5RNPY2R

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
CN-1279666-A NPY antagonists ASTRAZENECA AB (SE) 2001-01-10 — — CN disclosed
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