SCHEMBL30163211

SCHEMBL30163211

N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.56
▸ MME P08473 7/20 0.53
▸ ENPEP Q07075 5/20 0.52
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ ACE P12821 2/20 0.48
▸ BACE1 P56817 1/20 0.47
▸ BACE2 Q9Y5Z0 1/20 0.47
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 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
SCHEMBL30865072 0.94 NAALAD2 (0.52) NAALAD2MMEENPEPNPY1RNPY2R
SCHEMBL29496414 0.93 ENPEP (0.52) NAALAD2MMEENPEPNPY1RNPY2R
SCHEMBL31064856 0.92 NAALAD2 (0.66) NAALAD2MMEENPEPNPY1RNPY2R
SCHEMBL29349540 0.91 NAALAD2 (0.68) NAALAD2MMEENPEPNPY1RNPY2R
SCHEMBL30317559 0.90 NAALAD2 (0.60) NAALAD2MMEENPEP
SCHEMBL29634964 0.90 NAALAD2 (0.55) NAALAD2MMEBACE1BACE2
SCHEMBL159463 0.89 NAALAD2 (0.69) NAALAD2MMEENPEPNPY1RNPY2R
SCHEMBL27412431 0.89 NAALAD2 (0.69) NAALAD2MMEENPEPNPY1RNPY2R
SCHEMBL159464 0.89 NAALAD2 (0.69) NAALAD2MMEENPEPNPY1RNPY2R
SCHEMBL29531430 0.88 NAALAD2 (0.62) NAALAD2MMEENPEPNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115575557-A Detection and analysis method for linaclotide and related substances thereof 苏州天马医药集团天吉生物制药有限公司 2023-01-06 — — CN disclosed
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