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SCHEMBL30999636

SCHEMBL30999636

CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc(Br)c1)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 5/20 0.64
▸ PTH1R Q03431 9/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ KEAP1 Q14145 1/20 0.61
▸ GLP1R P43220 2/20 0.58
▸ CCKBR P32239 1/20 0.58
▸ NR3C1 P04150 1/20 0.57
▸ GCGR P47871 1/20 0.57
▸ GIPR P48546 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
SCHEMBL30999605 0.89 RXFP1 (0.69) PTH1RRXFP1KEAP1GLP1RCCKBR
SCHEMBL1352119 0.85 RXFP1 (0.72) IL23RPTH1RRXFP1KEAP1GLP1R
SCHEMBL30823851 0.85 KEAP1 (0.74) PTH1RRXFP1KEAP1GLP1RCCKBR
SCHEMBL29949645 0.85 PTH1R (0.68) PTH1RRXFP1KEAP1GLP1RCCKBR
SCHEMBL30763299 0.85 PTH1R (0.73) PTH1RRXFP1KEAP1GLP1RCCKBR
SCHEMBL31473045 0.85 PTH1R (0.73) PTH1RRXFP1KEAP1GLP1RCCKBR
SCHEMBL29385782 0.84 GLP1R (0.73) PTH1RKEAP1GLP1RCCKBR
Teduglutide SCHEMBL29393085 0.84 GLP1R (0.73) PTH1RGLP1RCCKBR
SCHEMBL31468449 0.84 GLP1R (0.73) KEAP1GLP1R
SCHEMBL30999610 0.84 CCKBR (0.62) IL23RGLP1RCCKBR

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
EP-4421082-A1 POLYPEPTIDE AND APPLICATION THEREOF AS CCK RECEPTOR AGONIST/ANTAGONIST Centre for Regenerative Medicine and Health, Hong Kong Institute of Science & Innovation, Chinese Academy of Sciences Limited (HK) 2024-08-28 — — EP disclosed
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