SCHEMBL30929947

SCHEMBL30929947

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VIPR2 P41587 7/20 0.68
VIPR1 P32241 6/20 0.68
TFPI P10646 1/20 0.60
GLP1R P43220 1/20 0.59
KEAP1 Q14145 1/20 0.59
NPY4R P50391 3/20 0.59
NPY1R P25929 2/20 0.59
NPY2R P49146 2/20 0.59
NPY5R Q15761 2/20 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
SCHEMBL30929948 0.97 VIPR2 (0.70) VIPR2VIPR1TFPIGLP1RKEAP1
SCHEMBL30929981 0.96 VIPR2 (0.70) VIPR2VIPR1TFPIGLP1RKEAP1
SCHEMBL32681425 0.94 VIPR1 (0.71) VIPR2VIPR1TFPIGLP1R
SCHEMBL29405269 0.94 VIPR1 (0.71) VIPR2VIPR1TFPIGLP1R
SCHEMBL29359930 0.92 VIPR2 (0.63) VIPR2VIPR1TFPIGLP1RNPY4R
SCHEMBL31255179 0.92 VIPR2 (0.69) VIPR2VIPR1TFPIGLP1R
SCHEMBL9437217 0.92 VIPR2 (0.61) VIPR2VIPR1GLP1RNPY4RNPY1R
SCHEMBL30478240 0.92 VIPR2 (0.62) VIPR2VIPR1KEAP1NPY4RNPY1R
SCHEMBL8780545 0.91 TFPI (0.64) VIPR2VIPR1TFPINPY4RNPY1R
SCHEMBL8780515 0.91 TFPI (0.64) VIPR2VIPR1TFPINPY4RNPY1R

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-118146313-A Self-assembled short peptide and application thereof in hemostasis and injury repair 成都赛恩贝外科学研究院 2024-06-07 CN claimed
CN-118146313-A Self-assembled short peptide and application thereof in hemostasis and injury repair 成都赛恩贝外科学研究院 2024-06-07 CN disclosed