SCHEMBL30407285

SCHEMBL30407285

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.49
▸ ACE2 Q9BYF1 5/20 0.49
▸ PTPN1 P18031 6/20 0.49
▸ REN P00797 2/20 0.47
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45

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
SCHEMBL30165170 0.89 ACE (0.54) ACEACE2
SCHEMBL29613922 0.88 OPRK1 (0.53) ACEACE2PTPN1
SCHEMBL29613914 0.88 OPRK1 (0.56) ACEACE2PTPN1OPRM1
SCHEMBL24579222 0.86 ACE (0.58) ACEACE2
SCHEMBL29697676 0.86 ACE (0.58) ACEACE2
SCHEMBL29696658 0.86 ACE (0.58) ACEACE2
SCHEMBL29613906 0.86 ACE (0.58) ACEACE2
SCHEMBL31113349 0.85 ACE (0.47) ACEACE2PTPN1
SCHEMBL29583278 0.85 ACE (0.51) ACEACE2PTPN1
SCHEMBL29613887 0.85 OPRK1 (0.53) ACEACE2PTPN1OPRM1OPRD1

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
CN-115746104-A Preparation method of Bulevirtide 深圳市健翔生物制药有限公司 2023-03-07 — — CN disclosed
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