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SCHEMBL29962685

SCHEMBL29962685

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)CNC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.66
▸ VIPR1 P32241 4/20 0.62
▸ VIPR2 P41587 5/20 0.59
▸ NPY2R P49146 6/20 0.58
▸ NPY4R P50391 6/20 0.58
▸ NPY5R Q15761 6/20 0.58
▸ NPY1R P25929 4/20 0.58
▸ GLP1R P43220 2/20 0.58
▸ PTH1R Q03431 1/20 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
SCHEMBL29962060 0.98 TFPI (0.67) TFPIVIPR1VIPR2NPY2RNPY4R
SCHEMBL29962395 0.98 TFPI (0.67) TFPIVIPR1VIPR2NPY2RNPY4R
SCHEMBL29519384 0.94 TFPI (0.68) TFPIVIPR1VIPR2NPY2RNPY4R
SCHEMBL30495814 0.91 VIPR1 (0.71) TFPIVIPR1VIPR2GLP1RPTH1R
SCHEMBL30695558 0.91 TFPI (0.78) TFPIVIPR1VIPR2NPY2RNPY4R
SCHEMBL30567756 0.91 VIPR1 (0.72) TFPIVIPR1VIPR2GLP1R
SCHEMBL29702365 0.90 TFPI (0.78) TFPIVIPR1VIPR2NPY2RNPY4R
SCHEMBL30495775 0.90 VIPR1 (0.70) TFPIVIPR1VIPR2NPY2RNPY4R
SCHEMBL31664369 0.89 TFPI (0.64) TFPIVIPR1VIPR2GLP1R
SCHEMBL31255288 0.89 TFPI (0.61) TFPIVIPR1VIPR2GLP1RPTH1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480234-B Bioactive peptide AAGGYDVEKNNSRIKLGLK and preparation method and application thereof 上海交通大学 2022-10-04 — — CN disclosed
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