SCHEMBL29610039

SCHEMBL29610039

CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 7/20 0.66
▸ IL23R Q5VWK5 9/20 0.61
▸ KISS1R Q969F8 4/20 0.60
▸ ECE1 P42892 1/20 0.59
▸ MUS81 Q96NY9 1/20 0.59

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
SCHEMBL38650746 0.92 GLP1R (0.65) GLP1RIL23RKISS1RECE1MUS81
SCHEMBL30305332 0.91 GLP1R (0.61) GLP1RIL23RKISS1R
SCHEMBL31532229 0.91 KISS1R (0.64) IL23RKISS1R
SCHEMBL31462103 0.90 GLP1R (0.58) GLP1RIL23RKISS1RECE1MUS81
SCHEMBL30596173 0.89 IL23R (0.65) IL23RKISS1R
SCHEMBL30596084 0.88 IL23R (0.64) GLP1RIL23RKISS1RECE1MUS81
SCHEMBL31683247 0.88 GLP1R (0.65) GLP1RECE1MUS81
SCHEMBL30979198 0.87 GLP1R (0.75) GLP1RECE1MUS81
SCHEMBL3356603 0.87 GLP1R (0.67) GLP1RKISS1RECE1MUS81
SCHEMBL30906493 0.86 GLP1R (0.70) GLP1RIL23RECE1MUS81

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-111875707-B Fusion polypeptide and preparation method and application thereof 华南理工大学 2022-05-24 — — CN claimed
CN-111875707-B Fusion polypeptide and preparation method and application thereof 华南理工大学 2022-05-24 — — CN disclosed
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