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SCHEMBL29519384

SCHEMBL29519384

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.68
▸ VIPR1 P32241 4/20 0.61
▸ VIPR2 P41587 5/20 0.58
▸ GLP1R P43220 3/20 0.58
▸ ECE1 P42892 1/20 0.58
▸ MUS81 Q96NY9 1/20 0.58
▸ PTH1R Q03431 2/20 0.58
▸ NPY2R P49146 5/20 0.57
▸ NPY4R P50391 5/20 0.57
▸ NPY5R Q15761 5/20 0.57
▸ NPY1R P25929 4/20 0.57

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
SCHEMBL29962395 0.96 TFPI (0.67) TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29962060 0.96 TFPI (0.67) TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29962685 0.94 TFPI (0.66) TFPIVIPR1VIPR2GLP1RPTH1R
SCHEMBL30695558 0.93 TFPI (0.78) TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29489273 0.93 TFPI (0.73) TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30220503 0.92 TFPI (0.66) TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30495814 0.92 VIPR1 (0.71) TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30176419 0.92 VIPR1 (0.68) TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30495775 0.92 VIPR1 (0.70) TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30176441 0.91 TFPI (0.64) TFPIVIPR1VIPR2GLP1RECE1

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-112625113-B Bioactive peptide AGYDVEKNNSRIKLGLK, and preparation method and application thereof 熊猫乳品集团股份有限公司 2022-03-29 — — CN claimed
CN-112625113-B Bioactive peptide AGYDVEKNNSRIKLGLK, and preparation method and application thereof 熊猫乳品集团股份有限公司 2022-03-29 — — CN disclosed
CN-112625113-B Bioactive peptide AGYDVEKNNSRIKLGLK, and preparation method and application thereof 熊猫乳品集团股份有限公司 2022-03-29 — — CN disclosed
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