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SCHEMBL29670106

SCHEMBL29670106

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.61
▸ AGTR2 P50052 3/20 0.59
▸ AGTR1 P30556 2/20 0.59
▸ NTSR2 O95665 9/20 0.57
▸ NTSR1 P30989 9/20 0.57
▸ SORT1 Q99523 7/20 0.57
▸ APLNR P35414 1/20 0.56
▸ C5AR1 P21730 1/20 0.55
▸ NMUR2 Q9GZQ4 1/20 0.54
▸ NMUR1 Q9HB89 1/20 0.54

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
SCHEMBL29359023 0.96 AGTR2 (0.66) F2AGTR2AGTR1NTSR2NTSR1
SCHEMBL29701256 0.93 AGTR2 (0.65) F2AGTR2AGTR1NTSR2NTSR1
SCHEMBL31332156 0.93 AGTR2 (0.64) F2AGTR2AGTR1NTSR2NTSR1
SCHEMBL31544391 0.93 AGTR1 (0.62) F2AGTR2AGTR1NTSR2NTSR1
Angiotensin Ii SCHEMBL29757879 0.92 AGTR2 (0.69) F2AGTR2AGTR1NTSR2NTSR1
Angiotensin Ii SCHEMBL22125774 0.92 AGTR2 (0.69) F2AGTR2AGTR1NTSR2NTSR1
Angiotensin Ii SCHEMBL9013950 0.92 AGTR2 (0.69) F2AGTR2AGTR1NTSR2NTSR1
SCHEMBL30445863 0.92 AGTR2 (0.69) F2AGTR2AGTR1NTSR2NTSR1
Angiotensin Ii SCHEMBL9013957 0.92 AGTR2 (0.69) F2AGTR2AGTR1NTSR2NTSR1
SCHEMBL29569693 0.92 AGTR1 (0.62) F2AGTR2AGTR1NTSR2NTSR1

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
EP-3998077-B1 CHOLIX TOXIN-DERIVED FUSION MOLECULES FOR ORAL DELIVERY OF BIOLOGICALLY ACTIVE CARGO THORNHILL THERAPEUTICS INC (US) 2026-01-07 — — EP disclosed
EP-4082558-B1 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY APPLIED MOLECULAR TRANSPORT INC (US) 2023-08-23 — — EP disclosed
EP-4082558-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY Applied Molecular Transport Inc. (US) 2022-11-02 — — EP disclosed
US-20220226445-A1 CHOLIX TOXIN-DERIVED FUSION MOLECULES FOR ORAL DELIVERY OF BIOLOGICALLY ACTIVE CARGO APPLIED MOLECULAR TRANSPORT INC. 2022-07-21 — — US disclosed
EP-3998077-A1 CHOLIX TOXIN-DERIVED FUSION MOLECULES FOR ORAL DELIVERY OF BIOLOGICALLY ACTIVE CARGO Applied Molecular Transport Inc. (US) 2022-05-18 — — EP disclosed
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