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SCHEMBL29939655

SCHEMBL29939655

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 15/20 0.70
▸ VIPR1 P32241 1/20 0.68
▸ CALCR P30988 3/20 0.67
▸ CCKBR P32239 1/20 0.67

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
SCHEMBL29939727 0.99 GLP1R (0.72) GLP1RVIPR1CALCRCCKBR
SCHEMBL30970990 0.98 GLP1R (0.71) GLP1RVIPR1CALCRCCKBR
SCHEMBL29600136 0.97 GLP1R (0.69) GLP1RVIPR1CALCRCCKBR
SCHEMBL29499682 0.96 GLP1R (0.70) GLP1RVIPR1CALCRCCKBR
Aviptadil SCHEMBL30969141 0.96 VIPR1 (0.72) GLP1RVIPR1CALCRCCKBR
Vasoactive Intestinal Peptide SCHEMBL3041046 0.96 VIPR1 (0.72) GLP1RVIPR1CALCRCCKBR
SCHEMBL31182441 0.94 GLP1R (0.66) GLP1RVIPR1CALCRCCKBR
SCHEMBL31331832 0.94 VIPR1 (0.68) GLP1RVIPR1CALCRCCKBR
SCHEMBL29520076 0.94 GLP1R (0.67) GLP1RCALCRCCKBR
SCHEMBL31139979 0.94 GLP1R (0.66) GLP1R

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
US-20240210401-A1 METHOD OF USING PACAP AND VIP PEPTIDES FOR DETECTING SHED OR CIRCULATING TUMOR CELLS IN BIOLOGICAL FLUIDS THOMAS JEFFERSON UNIVERSITY 2024-06-27 — — US disclosed
CN-115066254-A Human anti-inflammatory peptides for inhalation treatment of inflammatory lung diseases 阿德维塔生命科学有限责任公司 2022-09-16 — — CN disclosed
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