SCHEMBL9058204

SCHEMBL9058204

N=C(N)NCCC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 19/20 0.55
NPY5R Q15761 10/20 0.55
NPY1R P25929 10/20 0.55
NPY2R P49146 7/20 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
SCHEMBL9058352 0.93 NPY4R (0.57) NPY4RNPY5RNPY1RNPY2R
SCHEMBL9058342 0.92 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2R
SCHEMBL9057977 0.92 NPY4R (0.65) NPY4RNPY5RNPY1RNPY2R
SCHEMBL9058194 0.91 NPY4R (0.55) NPY4RNPY5RNPY1RNPY2R
SCHEMBL9058196 0.87 NPY4R (0.51) NPY4RNPY5RNPY1RNPY2R
SCHEMBL9058318 0.86 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2R
SCHEMBL9058176 0.85 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2R
SCHEMBL9058344 0.85 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2R
SCHEMBL9058172 0.84 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2R
SCHEMBL5319184 0.84 C3AR1 (0.52) NPY4RNPY5RNPY1RNPY2R

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-1996022305-A2 MODIFIED PEPTIDES THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-25 WO claimed