SCHEMBL28745902

SCHEMBL28745902

CC(N[C@@H](CCCNC(=N)N)C(N)=O)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 19/20 0.51
▸ NPY1R P25929 11/20 0.51
▸ NPY5R Q15761 10/20 0.51
▸ NPY2R P49146 7/20 0.51

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
SCHEMBL7596179 0.91 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL7596174 0.91 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL27536890 0.83 NPY1R (0.43) NPY4RNPY1RNPY5RNPY2R
SCHEMBL3817640 0.83 NPY1R (0.51) NPY4RNPY1RNPY5RNPY2R
SCHEMBL7030117 0.82 F7 (0.45) NPY4RNPY1RNPY5RNPY2R
SCHEMBL8131856 0.81 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL8123960 0.80 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL7600885 0.79 SIRT2 (0.48) —
Hydrochloric Acid SCHEMBL7596809 0.79 SIRT2 (0.48) —
SCHEMBL28745904 0.79 NPY4R (0.57) 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
Send feedback