SCHEMBL16728259

SCHEMBL16728259

NCCC[C@@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 9/20 0.46
▸ CHRNA1 P02708 5/20 0.46
▸ CHRNG P07510 5/20 0.46
▸ CHRNB1 P11230 5/20 0.46
▸ GRIA1 P42261 7/20 0.45
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRM1 Q13255 1/20 0.43

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
SCHEMBL16728262 0.96 CHRND (0.47) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL16728263 0.88 NPY4R (0.47) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16728258 0.88 NPY4R (0.45) CHRND
SCHEMBL16728266 0.88 NPY4R (0.47) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16728376 0.87 NPY4R (0.42) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL16728260 0.85 NPY4R (0.58) —
SCHEMBL16728364 0.85 NPY4R (0.58) —
SCHEMBL16728365 0.85 NPY4R (0.58) —
SCHEMBL16728256 0.85 NPY4R (0.58) —
SCHEMBL16728347 0.85 NPY4R (0.58) —

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
WO-2015071356-A1 HPYY(1 -36) HAVING A BETA-HOMOARGININE SUBSTITUTION AT POSITION 35 NOVO NORDISK A/S (DK) 2015-05-21 — — WO disclosed
Send feedback