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SCHEMBL30165246

SCHEMBL30165246

O=C(O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 2/20 0.50
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ REN P00797 1/20 0.47
▸ SLC6A2 P23975 1/20 0.46
▸ ACE P12821 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ CALCRL Q16602 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
SCHEMBL30595564 0.91 CTRB1 (0.50) CMA1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30165170 0.89 ACE (0.54) ACEACE2
SCHEMBL29696658 0.85 ACE (0.58) ACEACE2
SCHEMBL29613906 0.85 ACE (0.58) ACEACE2
SCHEMBL29697676 0.85 ACE (0.58) ACEACE2
SCHEMBL24579222 0.85 ACE (0.58) ACEACE2
SCHEMBL30366747 0.85 CASP3 (0.54) —
SCHEMBL29991993 0.85 CASP3 (0.54) —
SCHEMBL24414053 0.85 OPRM1 (0.47) CMA1OPRM1OPRD1OPRK1CALCRL
SCHEMBL30688543 0.84 CMA1 (0.55) CMA1RENSLC6A2ACECALCRL

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
CN-115746102-A Method for preparing Bulevirtide by combining solid phase with liquid phase 深圳市健翔生物制药有限公司 2023-03-07 — — CN disclosed
CN-115746103-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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