SCHEMBL30445757

SCHEMBL30445757

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.62
▸ REN P00797 2/20 0.60
▸ OPRM1 P35372 2/20 0.58
▸ CALCRL Q16602 1/20 0.57
▸ OPRD1 P41143 1/20 0.56
▸ OPRK1 P41145 1/20 0.56

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
SCHEMBL30050570 0.93 OPRM1 (0.54) SLC6A2RENOPRM1CALCRLOPRD1
SCHEMBL29416554 0.93 SLC6A2 (0.64) SLC6A2RENOPRM1
SCHEMBL29548836 0.92 SLC6A2 (0.60) SLC6A2REN
SCHEMBL30445678 0.92 SLC6A2 (0.60) SLC6A2REN
SCHEMBL30304785 0.91 OPRM1 (0.53) SLC6A2RENOPRM1CALCRLOPRD1
SCHEMBL31362624 0.88 SLC6A2 (0.59) SLC6A2RENOPRM1OPRD1OPRK1
SCHEMBL30445527 0.88 CALCRL (0.54) SLC6A2CALCRLOPRK1
SCHEMBL30690391 0.87 SLC6A2 (0.59) SLC6A2RENOPRM1OPRD1
SCHEMBL29530548 0.86 SLC6A2 (0.72) SLC6A2OPRM1CALCRLOPRD1
SCHEMBL30304870 0.86 SLC6A2 (0.56) SLC6A2OPRM1CALCRLOPRD1

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
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
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