SCHEMBL30018311

SCHEMBL30018311

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.53
▸ FURIN P09958 1/20 0.51
▸ HRH1 P35367 1/20 0.49
▸ CTSD P07339 1/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.47
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 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
SCHEMBL29720238 0.96 BACE1 (0.57) BACE1FURINCTSD
SCHEMBL30686814 0.93 BACE1 (0.53) BACE1HRH1CTSD
SCHEMBL30019046 0.91 BACE1 (0.64) BACE1CTSD
SCHEMBL29720348 0.89 BACE1 (0.60) BACE1CTSD
SCHEMBL30120725 0.88 BACE1 (0.55) BACE1CTSDNAALAD2
SCHEMBL31603949 0.87 BACE1 (0.64) BACE1CTSD
SCHEMBL30769684 0.87 TFPI (0.57) BACE1FURINHRH1
SCHEMBL31730257 0.87 BACE1 (0.61) BACE1CTSD
SCHEMBL31462936 0.86 NPY4R (0.54) FURIN
SCHEMBL29373145 0.85 SLC15A2 (0.49) FURIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326330-A1 GLUCAGON LIKE PEPTIDE COMPOUNDS Novartis AG (CH) 2024-02-28 — — EP claimed
WO-2022224164-A1 GLUCAGON LIKE PEPTIDE COMPOUNDS NOVARTIS AG (CH) 2022-10-27 — — WO claimed
EP-4380962-A1 PROCESS FOR THE PREPARATION OF SEMAGLUTIDE MSN Laboratories Private Limited, R&D Center (IN) 2024-06-12 — — EP disclosed
EP-4326330-A1 GLUCAGON LIKE PEPTIDE COMPOUNDS Novartis AG (CH) 2024-02-28 — — EP disclosed
WO-2023012829-A1 PROCESS FOR THE PREPARATION OF SEMAGLUTIDE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2023-02-09 — — WO disclosed
WO-2022224164-A1 GLUCAGON LIKE PEPTIDE COMPOUNDS NOVARTIS AG (CH) 2022-10-27 — — WO disclosed
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