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SCHEMBL29660499

SCHEMBL29660499

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)O)C(C)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.65
▸ OPRD1 P41143 4/20 0.61
▸ OPRM1 P35372 1/20 0.61
▸ OPRK1 P41145 1/20 0.61
▸ TACR1 P25103 1/20 0.59
▸ NTSR2 O95665 3/20 0.59
▸ NTSR1 P30989 3/20 0.59
▸ SORT1 Q99523 2/20 0.59
▸ C5AR1 P21730 1/20 0.59
▸ ABCC2 Q92887 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
Venorphin SCHEMBL29489924 0.88 NPBWR1 (0.65) KISS1ROPRD1OPRM1OPRK1TACR1
SCHEMBL29772142 0.88 KISS1R (0.64) KISS1ROPRD1OPRM1TACR1NTSR2
SCHEMBL30888410 0.87 KISS1R (0.60) KISS1RTACR1NTSR2NTSR1SORT1
SCHEMBL31331997 0.87 KISS1R (0.62) KISS1RTACR1NTSR2NTSR1SORT1
SCHEMBL29598567 0.86 KISS1R (0.65) KISS1RTACR1NTSR2NTSR1C5AR1
SCHEMBL31332280 0.86 KISS1R (0.64) KISS1RTACR1NTSR2NTSR1SORT1
SCHEMBL31186286 0.85 KISS1R (0.65) KISS1ROPRD1OPRM1TACR1NTSR2
SCHEMBL30007955 0.84 NTSR2 (0.65) KISS1ROPRM1TACR1NTSR2NTSR1
SCHEMBL29716634 0.84 NTSR2 (0.75) OPRD1OPRM1OPRK1TACR1NTSR2
SCHEMBL29535981 0.84 TACR1 (0.78) KISS1ROPRD1OPRM1OPRK1TACR1

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
US-20250242039-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS THORNHILL THERAPEUTICS INC (US) 2025-07-31 — — US disclosed
US-20240299565-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS APPLIED MOLECULAR TRANSPORT INC. 2024-09-12 — — US disclosed
EP-4316586-A2 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY Applied Molecular Transport Inc. (US) 2024-02-07 — — EP disclosed
EP-4082558-B1 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY APPLIED MOLECULAR TRANSPORT INC (US) 2023-08-23 — — EP disclosed
US-20230158163-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS THORNHILL THERAPEUTICS, INC. 2023-05-25 — — US disclosed
EP-4082558-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY Applied Molecular Transport Inc. (US) 2022-11-02 — — EP disclosed
US-11426466-B2 Toxin-derived delivery constructs for pulmonary delivery APPLIED MOLECULAR TRANSPORT INC. (US) 2022-08-30 — — US disclosed
EP-3762009-B1 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY APPLIED MOLECULAR TRANSPORT INC (US) 2022-05-11 — — EP disclosed
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