SCHEMBL29936749

SCHEMBL29936749

N=C(N)NCCC[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 11/20 0.56
NPY1R P25929 7/20 0.56
NPY2R P49146 5/20 0.56
NPY5R Q15761 5/20 0.56
OPRD1 P41143 8/20 0.56
OPRM1 P35372 7/20 0.56
OPRK1 P41145 2/20 0.56

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
SCHEMBL29519223 0.98 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL29630760 0.93 FNTA (0.47) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL30561185 0.91 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL9751974 0.90 NPY4R (0.57) NPY4RNPY1RNPY2RNPY5R
SCHEMBL9751973 0.90 NPY4R (0.57) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30688409 0.90 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL30264901 0.90 FNTA (0.52) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL31184580 0.90 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31184390 0.90 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30111245 0.90 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5ROPRD1

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-115087662-A Bispecific fusion polypeptide compounds 陕西麦科奥特科技有限公司 2022-09-20 CN disclosed