SCHEMBL29600765

SCHEMBL29600765

C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 16/20 0.63
▸ NPY1R P25929 10/20 0.63
▸ NPY5R Q15761 8/20 0.63
▸ NPY2R P49146 6/20 0.63
▸ OPRD1 P41143 1/20 0.47
▸ KISS1R Q969F8 1/20 0.47

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
SCHEMBL29601388 0.99 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29600979 0.99 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31643144 0.93 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30712176 0.91 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL29462566 0.91 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL31053724 0.91 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31571458 0.90 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL30420887 0.90 NPY4R (0.66) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30799948 0.89 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31053730 0.89 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2ROPRD1

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-114605522-A MCL-1 and BCL-XL protein dual-targeting BH3 polypeptide mimics and application thereof 中山大学 2022-06-10 — — CN claimed
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