SCHEMBL30445408

SCHEMBL30445408

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.56
▸ BACE2 Q9Y5Z0 3/20 0.56
▸ NAALAD2 Q9Y3Q0 1/20 0.55
▸ CTSD P07339 2/20 0.53
▸ FNTA P49354 3/20 0.52
▸ FNTB P49356 3/20 0.52
▸ MME P08473 1/20 0.52
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ CASP9 P55211 1/20 0.51

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
SCHEMBL30445027 0.93 NAALAD2 (0.54) BACE1BACE2NAALAD2CTSDMME
SCHEMBL30331349 0.92 OPRD1 (0.56) BACE1BACE2CTSDFNTAFNTB
SCHEMBL30445539 0.89 MME (0.54) FNTAFNTBMMENPY1RNPY2R
SCHEMBL29735895 0.88 NPY1R (0.53) BACE1BACE2CTSDFNTAFNTB
SCHEMBL30352879 0.88 BACE1 (0.65) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL31278149 0.88 ACE (0.53) BACE1BACE2NAALAD2FNTAFNTB
SCHEMBL30352847 0.88 BACE1 (0.65) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL29523711 0.86 BACE1 (0.56) BACE1BACE2NAALAD2CTSDCASP1
SCHEMBL31319516 0.86 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL30798078 0.86 OPRD1 (0.59) BACE1BACE2CTSD

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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