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SCHEMBL29705113

SCHEMBL29705113

CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 16/20 0.68
▸ CCKBR P32239 1/20 0.68
▸ ECE1 P42892 1/20 0.65
▸ MUS81 Q96NY9 1/20 0.65
▸ GCGR P47871 1/20 0.64
▸ GIPR P48546 1/20 0.64
▸ IL23R Q5VWK5 2/20 0.61
▸ PTH1R Q03431 1/20 0.61
▸ RXFP1 Q9HBX9 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
SCHEMBL31182951 0.92 GLP1R (0.73) GLP1RCCKBRECE1MUS81GCGR
SCHEMBL30299221 0.92 GLP1R (0.73) GLP1RCCKBRECE1MUS81GCGR
SCHEMBL29429591 0.91 GLP1R (0.76) GLP1RCCKBRECE1MUS81GCGR
SCHEMBL30495731 0.89 GLP1R (0.64) GLP1RCCKBRGCGRGIPRIL23R
SCHEMBL30712879 0.89 GLP1R (0.62) GLP1RCCKBRECE1MUS81GCGR
SCHEMBL31182768 0.89 GLP1R (0.66) GLP1RCCKBRECE1MUS81GCGR
SCHEMBL30475515 0.88 CCKBR (0.67) GLP1RCCKBRECE1MUS81GCGR
SCHEMBL31174211 0.88 GLP1R (0.65) GLP1RCCKBRECE1MUS81GCGR
SCHEMBL30726557 0.88 GLP1R (0.70) GLP1RCCKBRECE1MUS81GCGR
SCHEMBL29479855 0.88 GLP1R (0.69) GLP1RCCKBRECE1MUS81IL23R

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-111373028-B Method for producing protein 正大天晴药业集团南京顺欣制药有限公司 2022-07-05 — — CN claimed
CN-111373028-B Method for producing protein 正大天晴药业集团南京顺欣制药有限公司 2022-07-05 — — CN disclosed