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Sugi Predict / Compounds / SCHEMBL29694497

SCHEMBL29694497

SCHEMBL29694497

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)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](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 13/20 0.65
▸ ECE1 P42892 1/20 0.62
▸ MUS81 Q96NY9 1/20 0.62
▸ KISS1R Q969F8 6/20 0.61
▸ VIPR1 P32241 1/20 0.59
▸ CCKBR P32239 1/20 0.59
▸ GCGR P47871 1/20 0.58
▸ GIPR P48546 1/20 0.58

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
SCHEMBL30506383 0.96 GLP1R (0.69) GLP1RECE1MUS81VIPR1CCKBR
SCHEMBL30167097 0.95 GLP1R (0.62) GLP1RECE1MUS81KISS1R
SCHEMBL29358496 0.92 GLP1R (0.68) GLP1RECE1MUS81KISS1RVIPR1
SCHEMBL30128808 0.92 GLP1R (0.65) GLP1RECE1MUS81KISS1RGCGR
SCHEMBL31688342 0.92 GLP1R (0.63) GLP1RECE1MUS81KISS1RGCGR
SCHEMBL30209672 0.91 GLP1R (0.63) GLP1RECE1MUS81KISS1RVIPR1
SCHEMBL30986899 0.90 GLP1R (0.71) GLP1RECE1MUS81KISS1RCCKBR
SCHEMBL29427174 0.90 MAGI3 (0.59) GLP1RECE1MUS81KISS1R
SCHEMBL29694498 0.90 GLP1R (0.60) GLP1RECE1MUS81KISS1RCCKBR
SCHEMBL30435720 0.90 PTH1R (0.64) GLP1RECE1MUS81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4617282-A1 MEMBRANE FUSION INHIBITOR FOR INHIBITING AIDS VIRUS AND DRUG-RESISTANT STRAIN THEREOF, AND PHARMACEUTICAL USE THEREOF Institute Of Pathogen Biology, Chinese Academy Of Medical Sciences (CN) 2025-09-17 — — EP claimed
WO-2024099428-A1 MEMBRANE FUSION INHIBITOR FOR INHIBITING AIDS VIRUS AND DRUG-RESISTANT STRAIN THEREOF, AND PHARMACEUTICAL USE THEREOF 中国医学科学院病原生物学研究所 2024-05-16 — — WO claimed
EP-4617282-A1 MEMBRANE FUSION INHIBITOR FOR INHIBITING AIDS VIRUS AND DRUG-RESISTANT STRAIN THEREOF, AND PHARMACEUTICAL USE THEREOF Institute Of Pathogen Biology, Chinese Academy Of Medical Sciences (CN) 2025-09-17 — — EP disclosed
WO-2024099428-A1 MEMBRANE FUSION INHIBITOR FOR INHIBITING AIDS VIRUS AND DRUG-RESISTANT STRAIN THEREOF, AND PHARMACEUTICAL USE THEREOF 中国医学科学院病原生物学研究所 2024-05-16 — — WO disclosed
CN-115724919-B Novel membrane fusion inhibitor for strongly inhibiting AIDS virus and drug-resistant strain thereof and pharmaceutical application thereof 中国医学科学院病原生物学研究所 2023-06-27 — — CN disclosed
US-11680086-B2 Lipopeptide for potently inhibiting HIV, derivative thereof, pharmaceutical composition thereof and use thereof Shanxi Kangbao Biological Product Co., Ltd. (CN) 2023-06-20 — — US disclosed
CN-115724919-A Novel membrane fusion inhibitor for strongly inhibiting AIDS virus and drug-resistant strains thereof and pharmaceutical application thereof 中国医学科学院病原生物学研究所 2023-03-03 — — CN disclosed
CN-111944025-B HIV (human immunodeficiency Virus) membrane fusion inhibitor lipopeptide and pharmaceutical application thereof 中国医学科学院病原生物学研究所 2022-06-07 — — CN disclosed