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Sugi Predict / Compounds / SCHEMBL30712785

SCHEMBL30712785

SCHEMBL30712785

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 11/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ VIPR1 P32241 2/20 0.47
▸ GLP1R P43220 1/20 0.44
▸ GCGR P47871 1/20 0.44
▸ GIPR P48546 1/20 0.44
▸ VIPR2 P41587 2/20 0.44

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
SCHEMBL30449891 0.97 PTH1R (0.54) PTH1RRXFP1BACE1VIPR1GLP1R
SCHEMBL30607426 0.92 BACE1 (0.45) PTH1RRXFP1BACE1VIPR1
SCHEMBL29473696 0.91 VIPR1 (0.52) PTH1RRXFP1VIPR1VIPR2
SCHEMBL30599009 0.90 PTH1R (0.55) PTH1RRXFP1BACE1VIPR1GLP1R
SCHEMBL29473651 0.89 VIPR1 (0.53) PTH1RRXFP1VIPR1VIPR2
SCHEMBL29473681 0.89 VIPR1 (0.54) PTH1RRXFP1VIPR1VIPR2
SCHEMBL30432446 0.88 VIPR1 (0.57) PTH1RRXFP1BACE1VIPR1GLP1R
SCHEMBL30159324 0.87 BACE1 (0.56) PTH1RRXFP1BACE1VIPR1GLP1R
SCHEMBL31174231 0.86 VIPR1 (0.54) PTH1RBACE1VIPR1VIPR2
SCHEMBL29475967 0.86 VIPR1 (0.50) PTH1RRXFP1BACE1VIPR1VIPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12516104-B2 Compositions and methods for diagnosis and treatment of cancer BioNTech SE (DE) 2026-01-06 — — US claimed
US-20240002471-A1 Compositions and Methods for Diagnosis and Treatment of Cancer BioNTech SE (DE) 2024-01-04 — — US claimed
US-12516104-B2 Compositions and methods for diagnosis and treatment of cancer BioNTech SE (DE) 2026-01-06 — — US disclosed
US-20240002471-A1 Compositions and Methods for Diagnosis and Treatment of Cancer BioNTech SE (DE) 2024-01-04 — — US disclosed
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