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Sugi Predict / Compounds / SCHEMBL30415618

SCHEMBL30415618

SCHEMBL30415618

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 2/20 0.53
▸ KEAP1 Q14145 1/20 0.53
▸ GLP1R P43220 6/20 0.53
▸ KISS1R Q969F8 5/20 0.51
▸ VIPR2 P41587 3/20 0.50
▸ PTH1R Q03431 1/20 0.50
▸ SCTR P47872 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
SCHEMBL30887565 0.91 KISS1R (0.51) VIPR1GLP1RKISS1RVIPR2PTH1R
SCHEMBL29461455 0.88 GLP1R (0.56) VIPR1GLP1RVIPR2SCTR
SCHEMBL29516852 0.86 VIPR1 (0.70) VIPR1GLP1RVIPR2
SCHEMBL31353031 0.86 GLP1R (0.51) VIPR1GLP1RSCTR
SCHEMBL29854516 0.86 KISS1R (0.61) VIPR1GLP1RKISS1RVIPR2SCTR
SCHEMBL30607372 0.86 GLP1R (0.66) VIPR1GLP1RVIPR2
SCHEMBL29428041 0.86 GLP1R (0.50) VIPR1KEAP1GLP1RVIPR2SCTR
SCHEMBL31410887 0.85 GLP1R (0.57) VIPR1KEAP1GLP1RSCTR
SCHEMBL31183012 0.85 VIPR1 (0.62) VIPR1GLP1RVIPR2
SCHEMBL30176491 0.85 VIPR2 (0.60) VIPR1GLP1RVIPR2SCTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043475-A1 PEPTIDE CONJUGATES Bioniz Therapeutics, Inc. 2024-02-08 — — US disclosed
US-11708392-B2 Peptide conjugates BIONIZ, LLC (US) 2023-07-25 — — US disclosed
US-20230197187-A1 SELECTIVE PEPTIDE ANTAGONISTS Bioniz Therapeutics, Inc. 2023-06-22 — — US disclosed
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