SCHEMBL29776753

SCHEMBL29776753

N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.48
ACE P12821 3/20 0.44
KDM4E B2RXH2 1/20 0.44
F2 P00734 1/20 0.44
REN P00797 1/20 0.44
LMNA P02545 1/20 0.44
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.44
PEPD P12955 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 0.44
HRH1 P35367 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
XIAP P98170 1/20 0.43
OPRD1 P41143 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
SCHEMBL17352470 0.93 OPRM1 (0.46) OPRM1ACEKDM4EF2REN
SCHEMBL29366371 0.93 OPRM1 (0.46) OPRM1ACEKDM4EF2REN
SCHEMBL29374739 0.92 OPRM1 (0.45) OPRM1F2OPRD1CAPN1
SCHEMBL31065472 0.92 OPRM1 (0.45) OPRM1F2OPRD1CAPN1
SCHEMBL31383711 0.91 OPRM1 (0.50) OPRM1XIAPOPRD1CAPN1
SCHEMBL31316132 0.91 OPRM1 (0.54) OPRM1ACEKDM4EF2REN
SCHEMBL29886469 0.90 OPRM1 (0.46) OPRM1ACEKDM4EF2REN
SCHEMBL17352458 0.89 OPRM1 (0.43) OPRM1ACEKDM4EF2REN
SCHEMBL29355564 0.88 GRB2 (0.47) OPRM1ACEKDM4EF2REN
SCHEMBL30775496 0.88 OPRM1 (0.54) OPRM1ACERENXIAPOPRD1

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
US-12275760-B2 Amino acid-specific binder and selectively identifying an amino acid GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF COMMERCE (US) 2025-04-15 US disclosed
US-20220315628-A1 AMINO ACID-SPECIFIC BINDER AND SELECTIVELY IDENTIFYING AN AMINO ACID GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF COMMERCE 2022-10-06 US disclosed
US-11390653-B2 Amino acid-specific binder and selectively identifying an amino acid GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF COMMERCE (US) 2022-07-19 US disclosed