SCHEMBL30429968

SCHEMBL30429968

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.46
▸ CMA1 P23946 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ PRCP P42785 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ XIAP P98170 1/20 0.42
▸ ACE P12821 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL30430389 1.00 REN (0.46) RENCMA1OPRM1OPRD1OPRK1
SCHEMBL30430975 0.99 REN (0.45) RENCMA1OPRM1OPRD1OPRK1
SCHEMBL30429187 0.84 CTRB1 (0.51) CMA1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30480492 0.84 OPRM1 (0.55) RENOPRM1OPRD1OPRK1SLC6A2
SCHEMBL30480493 0.84 OPRM1 (0.55) RENOPRM1OPRD1OPRK1SLC6A2
SCHEMBL30165246 0.83 CMA1 (0.50) RENCMA1OPRM1OPRD1OPRK1
SCHEMBL30688543 0.83 CMA1 (0.55) RENCMA1SLC6A2ACE
SCHEMBL10826524 0.82 SLC6A2 (0.53) RENCMA1OPRM1OPRD1OPRK1
SCHEMBL30165170 0.81 ACE (0.54) ACEACE2
SCHEMBL31437213 0.81 APLNR (0.48) OPRM1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4201951-B1 METHOD FOR PEPTIDE SYNTHESIS BACHEM HOLDING AG (CH) 2023-11-22 — — EP disclosed
WO-2023117904-A1 METHOD FOR PEPTIDE SYNTHESIS BACHEM HOLDING AG (CH) 2023-06-29 — — WO disclosed
EP-4201951-A1 METHOD FOR PEPTIDE SYNTHESIS Bachem Holding AG (CH) 2023-06-28 — — EP disclosed
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