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Sugi Predict / Compounds / SCHEMBL30414102

SCHEMBL30414102

SCHEMBL30414102

NCCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 6/20 0.54
▸ C5AR1 P21730 2/20 0.53
▸ NPY1R P25929 3/20 0.53
▸ NPY2R P49146 3/20 0.53
▸ NPY4R P50391 3/20 0.53

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
SCHEMBL29666286 0.92 GHSR (0.59) GHSR
SCHEMBL31316304 0.91 GHSR (0.54) GHSRC5AR1NPY1RNPY2RNPY4R
SCHEMBL30309229 0.91 GHSR (0.60) GHSRNPY1RNPY2RNPY4R
SCHEMBL29462005 0.90 GHSR (0.58) GHSRC5AR1NPY1RNPY2RNPY4R
SCHEMBL29540499 0.90 C5AR1 (0.58) GHSRC5AR1NPY2R
SCHEMBL29641153 0.90 C5AR1 (0.58) GHSRC5AR1NPY2R
SCHEMBL29666294 0.89 GHSR (0.56) GHSR
SCHEMBL29462003 0.89 GHSR (0.54) GHSRC5AR1NPY1RNPY2RNPY4R
SCHEMBL30485843 0.89 GHSR (0.57) GHSRC5AR1NPY1RNPY2RNPY4R
SCHEMBL29808394 0.89 GHSR (0.63) GHSR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116004221-B New application of cyclic peptide, acridine labeled complex, preparation method and detection kit 湖南卓润生物科技有限公司 2023-12-19 — — CN disclosed
CN-116004221-A New application of cyclic peptide, acridine labeled complex, preparation method and detection kit 湖南卓润生物科技有限公司 2023-04-25 — — CN disclosed
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