Sugi Predict

Sugi Predict / Compounds / SCHEMBL30903290

SCHEMBL30903290

SCHEMBL30903290

CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 6/20 0.59
▸ CXCL8 P10145 5/20 0.58
▸ GLP1R P43220 7/20 0.57
▸ GIPR P48546 6/20 0.57
▸ GCGR P47871 1/20 0.56

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
SCHEMBL30903280 0.94 CCKBR (0.58) CCKBRGLP1RGIPR
SCHEMBL29461486 0.90 GLP1R (0.55) CCKBRGLP1RGIPR
SCHEMBL29609518 0.89 CXCL8 (0.62) CCKBRCXCL8GLP1RGIPRGCGR
SCHEMBL30903276 0.87 CXCL8 (0.60) CXCL8GLP1RGCGR
SCHEMBL29461409 0.87 CXCL8 (0.59) CCKBRCXCL8GLP1RGCGR
SCHEMBL30435375 0.86 CXCL8 (0.65) CCKBRCXCL8
SCHEMBL30435302 0.85 CXCL8 (0.60) CCKBRCXCL8GLP1RGCGR
SCHEMBL30903278 0.85 MC4R (0.59) CXCL8GLP1RGCGR
SCHEMBL30812405 0.85 IL23R (0.62) CCKBRCXCL8GLP1RGIPR
SCHEMBL31666086 0.85 IL23R (0.66) CCKBRGLP1RGIPRGCGR

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
US-20240148849-A1 IMMUNOGENIC COMPOSITION, USE AND METHODS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2024-05-09 — — US disclosed
Send feedback