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SCHEMBL29625325

SCHEMBL29625325

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.55
▸ GLP1R P43220 9/20 0.55
▸ F2 P00734 4/20 0.53
▸ GRIN2D O15399 1/20 0.53
▸ GRIN3B O60391 1/20 0.53
▸ GRIN1 Q05586 1/20 0.53
▸ GRIN2A Q12879 1/20 0.53
▸ GRIN2B Q13224 1/20 0.53
▸ GRIN2C Q14957 1/20 0.53
▸ GRIN3A Q8TCU5 1/20 0.53
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ TFPI P10646 1/20 0.52

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
SCHEMBL30262006 0.96 GLP1R (0.52) CALCRGLP1RGRIN2DGRIN3BGRIN1
SCHEMBL29796964 0.92 GLP1R (0.55) CALCRGLP1RF2CRHR1CRHR2
SCHEMBL30524358 0.92 GLP1R (0.62) CALCRGLP1RCRHR1CRHR2
SCHEMBL30524353 0.92 GLP1R (0.48) CALCRGLP1RF2GRIN2DGRIN3B
Magainin 2 SCHEMBL29357968 0.91 CALCR (0.63) CALCRGLP1RCRHR1CRHR2TFPI
SCHEMBL29633610 0.91 CALCR (0.63) CALCRGLP1RCRHR1CRHR2TFPI
SCHEMBL29649197 0.90 CALCR (0.60) CALCRGLP1RF2CRHR1CRHR2
SCHEMBL31303964 0.90 PTH1R (0.59) CALCRGLP1RF2CRHR1CRHR2
SCHEMBL29827711 0.90 CRHR1 (0.55) CALCRGLP1RF2CRHR1CRHR2
SCHEMBL30436811 0.90 GLP1R (0.56) CALCRGLP1RF2CRHR1CRHR2

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-114344451-B Application of Reg4 antibacterial peptide in treatment of pseudomonas aeruginosa infectious pneumonia 上海市肺科医院 2023-09-26 — — CN disclosed
CN-114409758-A Application of Reg4 antibacterial peptide in treatment of pathogenic escherichia coli infection 上海市儿科医学研究所 2022-04-29 — — CN disclosed
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