SCHEMBL30445399

SCHEMBL30445399

CSCC[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)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.51
▸ IL23R Q5VWK5 2/20 0.46
▸ CCKBR P32239 5/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ CCKAR P32238 1/20 0.45
▸ GLP1R P43220 1/20 0.45
▸ SCTR P47872 1/20 0.45
▸ GRPR P30550 1/20 0.44
▸ CRHR1 P34998 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ F2 P00734 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
SCHEMBL30446254 0.93 CCKAR (0.46) CALCRCCKBROPRD1CCKAR
SCHEMBL30445535 0.91 CALCR (0.48) CALCRCCKBROPRD1CCKARF2
SCHEMBL30445017 0.88 FNTA (0.43) —
SCHEMBL30445727 0.88 FNTA (0.43) —
SCHEMBL30445417 0.88 FNTA (0.43) —
SCHEMBL31295737 0.88 CALCR (0.55) CALCRIL23ROPRD1GLP1RSCTR
SCHEMBL30445380 0.88 BACE1 (0.47) CALCRBACE1
SCHEMBL30445795 0.86 OPRD1 (0.44) CALCRCCKBRBACE1OPRD1CCKAR
SCHEMBL30445776 0.86 OPRD1 (0.44) CALCRCCKBRBACE1OPRD1CCKAR
SCHEMBL30445790 0.86 CALCR (0.46) CALCRCCKBRCCKARF2

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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