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Sugi Predict / Compounds / SCHEMBL30717240

SCHEMBL30717240

SCHEMBL30717240

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.63
▸ KDM1A O60341 3/20 0.56
▸ GLP1R P43220 1/20 0.55
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ CXCR4 P61073 6/20 0.53
▸ GNRHR P30968 1/20 0.53
▸ ABCC2 Q92887 1/20 0.53
▸ MC4R P32245 1/20 0.53
▸ MC5R P33032 1/20 0.53
▸ MC3R P41968 1/20 0.53
▸ MC1R Q01726 1/20 0.53
▸ REN P00797 3/20 0.52
▸ MAOB P27338 1/20 0.52
▸ KDM5A P29375 1/20 0.52
▸ KDM1B Q8NB78 1/20 0.52

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
SCHEMBL5200355 0.90 GNRHR (0.64) C5AR1KDM1ACXCR4GNRHRABCC2
SCHEMBL30903284 0.90 MAPK8 (0.60) C5AR1KDM1AGLP1RNPY1RNPY2R
SCHEMBL30839204 0.89 GNRHR (0.64) C5AR1CXCR4GNRHRABCC2MC4R
SCHEMBL29425251 0.89 GNRHR (0.64) C5AR1CXCR4GNRHRABCC2MC4R
SCHEMBL31476431 0.89 C5AR1 (0.58) C5AR1GLP1RNPY2R
SCHEMBL29811075 0.88 NPY1R (0.61) C5AR1KDM1AGLP1RNPY1RNPY2R
SCHEMBL30903283 0.88 C5AR1 (0.68) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL29425255 0.87 C5AR1 (0.68) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL31464901 0.87 KDM1A (0.63) C5AR1KDM1ANPY1RNPY2RNPY4R
SCHEMBL29425250 0.87 GNRHR (0.70) C5AR1CXCR4GNRHRABCC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417414-A Repairing polypeptide compound, preparation method and application thereof 成都凯捷多肽科技有限公司 2024-01-19 — — CN claimed
CN-117417414-A Repairing polypeptide compound, preparation method and application thereof 成都凯捷多肽科技有限公司 2024-01-19 — — CN disclosed
CN-117417414-A Repairing polypeptide compound, preparation method and application thereof 成都凯捷多肽科技有限公司 2024-01-19 — — CN disclosed
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