SCHEMBL30120725

SCHEMBL30120725

C[C@H](N)C(=O)N[C@@H](C)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 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.55
▸ NAALAD2 Q9Y3Q0 1/20 0.52
▸ CTSD P07339 1/20 0.51
▸ GHSR Q92847 1/20 0.49

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
SCHEMBL29575648 0.96 NAALAD2 (0.56) BACE1NAALAD2CTSDGHSR
SCHEMBL29720348 0.94 BACE1 (0.60) BACE1CTSDGHSR
SCHEMBL31730257 0.93 BACE1 (0.61) BACE1CTSD
SCHEMBL31181219 0.91 GNPAT (0.57) GHSR
SCHEMBL30628702 0.91 GHSR (0.56) GHSR
SCHEMBL29531757 0.91 GHSR (0.56) GHSR
SCHEMBL30671759 0.90 GHSR (0.51) BACE1NAALAD2CTSDGHSR
SCHEMBL30019046 0.90 BACE1 (0.64) BACE1CTSD
SCHEMBL30512709 0.89 NAALAD2 (0.53) BACE1NAALAD2GHSR
SCHEMBL29411666 0.88 NAALAD2 (0.65) BACE1NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116251192-A GLP-1 dosing regimen 上海仁会生物制药股份有限公司 2023-06-13 — — CN disclosed
CN-115397455-A GLP-1 dosing regimens 上海仁会生物制药股份有限公司 2022-11-25 — — CN disclosed
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