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Sugi Predict / Compounds / SCHEMBL30843897

SCHEMBL30843897

SCHEMBL30843897

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.64
▸ NPY2R P49146 1/20 0.64
▸ NPY4R P50391 1/20 0.64
▸ NPY5R Q15761 1/20 0.64
▸ GLP1R P43220 11/20 0.63
▸ ECE1 P42892 1/20 0.60
▸ MUS81 Q96NY9 1/20 0.60
▸ CXCR4 P61073 3/20 0.60
▸ CALCA P06881 1/20 0.59
▸ KEAP1 Q14145 1/20 0.59
▸ GCGR P47871 4/20 0.59
▸ GIPR P48546 1/20 0.58

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
SCHEMBL30843895 0.93 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30843901 0.91 GLP1R (0.65) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30843899 0.90 CXCR4 (0.63) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30666385 0.90 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658244 0.90 NPY2R (0.76) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30843900 0.89 CALCA (0.62) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31683347 0.89 NPY2R (0.71) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30256968 0.88 NPY1R (0.66) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29382733 0.88 C5AR1 (0.63) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721554 0.87 NPY2R (0.76) NPY1RNPY2RNPY4RNPY5RGLP1R

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-117603309-A Peptides for the treatment of cancer and uses thereof 主流源生物科技(上海)有限公司 2024-02-27 — — CN claimed
CN-117603309-A Peptides for the treatment of cancer and uses thereof 主流源生物科技(上海)有限公司 2024-02-27 — — CN disclosed
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