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SCHEMBL30547468

SCHEMBL30547468

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 5/20 0.56
▸ AGTR1 P30556 4/20 0.56
▸ CALCRL Q16602 3/20 0.56
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ KEAP1 Q14145 1/20 0.52
▸ F2 P00734 5/20 0.52
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ SLC6A2 P23975 1/20 0.51
▸ REN P00797 1/20 0.51
▸ CRHR1 P34998 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50

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
SCHEMBL31275234 0.93 CALCRL (0.53) AGTR2AGTR1CALCRLMAPK8MAPK9
SCHEMBL30443276 0.90 NTSR1 (0.53) AGTR2AGTR1CALCRLMAPK8MAPK9
SCHEMBL30444199 0.89 NTSR1 (0.51) AGTR2AGTR1MAPK8MAPK9MAPK10
SCHEMBL30547469 0.88 MAPK8 (0.56) CALCRLMAPK8MAPK9MAPK10KEAP1
SCHEMBL30432286 0.88 CRHR1 (0.55) CALCRLMAPK8MAPK9MAPK10F2
SCHEMBL30150551 0.86 CALCRL (0.58) AGTR2AGTR1CALCRLF2SLC6A2
SCHEMBL30607404 0.86 NPY2R (0.63) F2CRHR1CRHR2
SCHEMBL30605188 0.85 KEAP1 (0.60) CALCRLMAPK8MAPK9MAPK10KEAP1
SCHEMBL31182814 0.85 F2 (0.57) AGTR2AGTR1F2NTSR2NTSR1
SCHEMBL32677416 0.85 BACE1 (0.60) AGTR2AGTR1F2NTSR2NTSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12178839-B2 Anti-obesity agent, pollakiuria improving agent, and autonomic nervous activity regulator ASAHI GROUP HOLDINGS, LTD. (JP) 2024-12-31 — — US claimed
EP-3871685-B1 ANTI-OBESITY AGENT, POLLAKIURIA IMPROVING AGENT, AND AUTONOMIC NERVOUS ACTIVITY REGULATOR ASAHI GROUP HOLDINGS LTD (JP) 2023-08-30 — — EP claimed
US-12178839-B2 Anti-obesity agent, pollakiuria improving agent, and autonomic nervous activity regulator ASAHI GROUP HOLDINGS, LTD. (JP) 2024-12-31 — — US disclosed
US-12178839-B2 Anti-obesity agent, pollakiuria improving agent, and autonomic nervous activity regulator ASAHI GROUP HOLDINGS, LTD. (JP) 2024-12-31 — — US disclosed
EP-3871685-B1 ANTI-OBESITY AGENT, POLLAKIURIA IMPROVING AGENT, AND AUTONOMIC NERVOUS ACTIVITY REGULATOR ASAHI GROUP HOLDINGS LTD (JP) 2023-08-30 — — EP disclosed
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