SCHEMBL30445172

SCHEMBL30445172

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 14/20 0.47
▸ BACE2 Q9Y5Z0 3/20 0.47
▸ CASP1 P29466 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ CASP9 P55211 1/20 0.44
▸ IL23R Q5VWK5 1/20 0.44
▸ SLC6A2 P23975 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ CTSD P07339 1/20 0.43
▸ GLP1R P43220 1/20 0.43
▸ SCTR P47872 1/20 0.43

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
SCHEMBL30445684 0.94 GLP1R (0.44) BACE1BACE2SLC6A2GLP1R
SCHEMBL30445380 0.87 BACE1 (0.47) BACE1BACE2
SCHEMBL30974127 0.87 GLP1R (0.44) BACE1BACE2IL23RGLP1RSCTR
SCHEMBL30512584 0.87 BACE1 (0.51) BACE1BACE2GLP1RSCTR
SCHEMBL30505408 0.86 BACE1 (0.54) BACE1BACE2CASP1CASP3CASP9
SCHEMBL29904276 0.86 BACE1 (0.41) BACE1BACE2CTSD
SCHEMBL30445399 0.85 CALCR (0.51) BACE1IL23ROPRD1GLP1RSCTR
SCHEMBL30445774 0.85 CALCR (0.48) BACE1BACE2GLP1RSCTR
SCHEMBL30974539 0.85 BACE1 (0.47) BACE1BACE2IL23RGLP1RSCTR
SCHEMBL30974314 0.84 BACE1 (0.48) BACE1BACE2OPRD1GLP1RSCTR

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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