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Sugi Predict / Compounds / SCHEMBL30449891

SCHEMBL30449891

SCHEMBL30449891

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)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 10/20 0.54
▸ VIPR1 P32241 3/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ VIPR2 P41587 3/20 0.46
▸ GLP1R P43220 1/20 0.46
▸ GCGR P47871 1/20 0.46
▸ GIPR P48546 1/20 0.46

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
SCHEMBL30712785 0.97 PTH1R (0.52) PTH1RVIPR1RXFP1BACE1VIPR2
SCHEMBL30599009 0.91 PTH1R (0.55) PTH1RVIPR1RXFP1BACE1VIPR2
SCHEMBL30607426 0.90 BACE1 (0.45) PTH1RVIPR1RXFP1BACE1
SCHEMBL29473681 0.90 VIPR1 (0.54) PTH1RVIPR1RXFP1VIPR2
SCHEMBL29473651 0.89 VIPR1 (0.53) PTH1RVIPR1RXFP1VIPR2
SCHEMBL31174231 0.89 VIPR1 (0.54) PTH1RVIPR1BACE1VIPR2
SCHEMBL30432446 0.88 VIPR1 (0.57) PTH1RVIPR1RXFP1BACE1VIPR2
SCHEMBL31554819 0.88 VIPR2 (0.51) PTH1RVIPR1VIPR2
SCHEMBL29473696 0.88 VIPR1 (0.52) PTH1RVIPR1RXFP1VIPR2
SCHEMBL29463703 0.87 KISS1R (0.49) VIPR1VIPR2

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
CN-116987180-A Methods and compositions for cancer diagnosis and treatment 生物技术欧洲股份公司 2023-11-03 — — CN claimed
US-11673939-B2 Compositions and methods for diagnosis and treatment of cancer BioNTech SE 2023-06-13 — — US claimed
US-11673939-B2 Compositions and methods for diagnosis and treatment of cancer BioNTech SE 2023-06-13 — — US disclosed
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