SCHEMBL30445516

SCHEMBL30445516

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.53
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ NAALAD2 Q9Y3Q0 1/20 0.50
▸ ENPEP Q07075 5/20 0.49
▸ OPRM1 P35372 2/20 0.47
▸ ACE P12821 1/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47

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
SCHEMBL30123053 0.97 ENPEP (0.53) MMENPY1RNPY2RNPY4RNAALAD2
SCHEMBL31256994 0.94 NPY1R (0.56) MMENPY1RNPY2RNPY4RNAALAD2
SCHEMBL29630383 0.93 NAALAD2 (0.56) MMENPY1RNPY2RNPY4RNAALAD2
SCHEMBL29630449 0.92 NAALAD2 (0.55) NPY1RNPY2RNPY4RNAALAD2ENPEP
SCHEMBL29596406 0.90 MME (0.53) MMEOPRM1
SCHEMBL29591937 0.90 NAALAD2 (0.54) NPY1RNPY2RNPY4RNAALAD2ENPEP
SCHEMBL29630754 0.90 NAALAD2 (0.54) NPY1RNPY2RNPY4RNAALAD2ENPEP
SCHEMBL29630373 0.89 NPY1R (0.52) NPY1RNPY2RNPY4RNAALAD2ENPEP
SCHEMBL29608986 0.89 NPY4R (0.57) MMENPY1RNPY2RNPY4RNAALAD2
SCHEMBL38651006 0.88 NAALAD2 (0.57) NPY1RNPY2RNPY4RNAALAD2ENPEP

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
EP-4192843-A1 PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF Ospedale Pediatrico Bambino Gesù (IT) 2023-06-14 — — EP claimed
EP-4192843-A1 PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF Ospedale Pediatrico Bambino Gesù (IT) 2023-06-14 — — EP disclosed
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