SCHEMBL31305844

SCHEMBL31305844

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 19/20 0.57
▸ NPY1R P25929 11/20 0.57
▸ NPY5R Q15761 10/20 0.57
▸ NPY2R P49146 7/20 0.57

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
SCHEMBL31305854 0.90 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30558305 0.88 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2R
SCHEMBL9751974 0.88 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2R
SCHEMBL9751973 0.88 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30490596 0.87 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29799960 0.86 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31679394 0.86 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30242239 0.86 TFPI (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31556108 0.86 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30089376 0.85 NPY4R (0.61) 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-119015278-A Novel use of cytisine, cytisine-polypeptide coupled compound, preparation method and use thereof 广州医科大学 2024-11-26 — — CN claimed
Send feedback