SCHEMBL30929948

SCHEMBL30929948

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(=O)O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VIPR2 P41587 9/20 0.70
VIPR1 P32241 8/20 0.70
BACE1 P56817 2/20 0.60
GLP1R P43220 3/20 0.60
ECE1 P42892 1/20 0.60
MUS81 Q96NY9 1/20 0.60
TFPI P10646 1/20 0.58
GCGR P47871 1/20 0.58
GIPR P48546 1/20 0.58
KEAP1 Q14145 1/20 0.57
BACE2 Q9Y5Z0 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
SCHEMBL30929981 0.99 VIPR2 (0.70) VIPR2VIPR1BACE1GLP1RECE1
SCHEMBL30929947 0.97 VIPR2 (0.68) VIPR2VIPR1GLP1RTFPIKEAP1
SCHEMBL31255179 0.95 VIPR2 (0.69) VIPR2VIPR1BACE1GLP1RECE1
SCHEMBL30789084 0.94 VIPR2 (0.66) VIPR2VIPR1BACE1TFPIBACE2
SCHEMBL4728191 0.93 VIPR2 (0.65) VIPR2VIPR1BACE1KEAP1
SCHEMBL30478240 0.93 VIPR2 (0.62) VIPR2VIPR1KEAP1
SCHEMBL4728204 0.93 VIPR2 (0.65) VIPR2VIPR1BACE1KEAP1
SCHEMBL29453357 0.93 VIPR2 (0.70) VIPR2VIPR1BACE1GLP1RTFPI
SCHEMBL30974419 0.93 NPY4R (0.64) VIPR2VIPR1TFPIKEAP1
SCHEMBL29453348 0.92 VIPR2 (0.70) VIPR2VIPR1TFPIKEAP1

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