SCHEMBL31265496

SCHEMBL31265496

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.66
▸ TFPI P10646 1/20 0.58
▸ BACE1 P56817 3/20 0.56
▸ BACE2 Q9Y5Z0 3/20 0.56
▸ SCTR P47872 1/20 0.54
▸ OPRM1 P35372 3/20 0.53
▸ OPRD1 P41143 3/20 0.53
▸ OPRK1 P41145 3/20 0.53

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
SCHEMBL30139565 0.94 GLP1R (0.72) GLP1RTFPISCTROPRM1OPRD1
SCHEMBL31759060 0.92 GLP1R (0.60) GLP1RTFPIBACE1BACE2SCTR
SCHEMBL30874383 0.92 BACE1 (0.63) GLP1RTFPIBACE1BACE2OPRM1
SCHEMBL30874382 0.89 BACE1 (0.60) GLP1RTFPIBACE1BACE2OPRM1
SCHEMBL30874384 0.89 BACE1 (0.60) GLP1RTFPIBACE1BACE2OPRM1
SCHEMBL30874381 0.89 BACE1 (0.60) GLP1RTFPIBACE1BACE2OPRM1
SCHEMBL30721551 0.87 GLP1R (0.70) GLP1RTFPIOPRM1OPRD1OPRK1
SCHEMBL31099248 0.87 GLP1R (0.71) GLP1RSCTR
SCHEMBL30271991 0.86 TFPI (0.66) GLP1RTFPI
SCHEMBL30836920 0.86 TFPI (0.66) GLP1RTFPISCTR

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
CN-111448207-B GLP-1 receptor ligand moiety conjugated oligonucleotides and uses thereof IONIS制药公司 2024-11-01 — — CN disclosed
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