SCHEMBL30039627

SCHEMBL30039627

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.57
▸ CTSD P07339 4/20 0.52
▸ MME P08473 3/20 0.51
▸ ACE P12821 3/20 0.51
▸ CPA1 P15085 3/20 0.51
▸ ACE2 Q9BYF1 3/20 0.51
▸ CASP1 P29466 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ CASP4 P49662 1/20 0.49
▸ CASP5 P51878 1/20 0.49
▸ CASP9 P55211 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ CASP10 Q92851 1/20 0.49
▸ GRB2 P62993 2/20 0.48
▸ MAGI3 Q5TCQ9 1/20 0.47
▸ KISS1R Q969F8 2/20 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
SCHEMBL15765930 0.94 BACE1 (0.53) BACE1CTSDMMEACECPA1
SCHEMBL30819112 0.93 BACE1 (0.56) BACE1CTSDMMEACECPA1
SCHEMBL31307223 0.92 BACE1 (0.63) BACE1CTSDCASP1CASP3CASP4
SCHEMBL30117298 0.92 BACE1 (0.64) BACE1CTSDMMEACECPA1
SCHEMBL30001080 0.90 BACE1 (0.55) BACE1CTSDMME
SCHEMBL31220207 0.90 BACE1 (0.58) BACE1CTSDMMEACECPA1
SCHEMBL30544642 0.89 CTSD (0.56) BACE1CTSDMMEACECPA1
SCHEMBL30051590 0.89 ACE (0.64) BACE1CTSDMMEACECPA1
SCHEMBL31672244 0.88 NAALAD2 (0.55) MME
SCHEMBL5970501 0.88 NAALAD2 (0.55) MME

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-117202924-A Therapeutic regimens and methods for lowering blood glucose and/or body weight using GLP-1R and GCGR balance agonists 斯皮特弗尔制药有限责任公司 2023-12-08 — — CN disclosed
CN-115427065-A GLP-1R and GCGR agonists, formulations, and methods of use 斯皮特弗尔制药有限责任公司 2022-12-02 — — CN disclosed
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