SCHEMBL31059337

SCHEMBL31059337

CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.59
OPRM1 P35372 3/20 0.56
OPRD1 P41143 1/20 0.51
ACE P12821 1/20 0.51
ITGB1 P05556 1/20 0.50
ITGA4 P13612 1/20 0.50
VHL P40337 1/20 0.50

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
SCHEMBL29496921 0.88 SLC6A2 (0.66) SLC6A2OPRM1OPRD1
SCHEMBL30862234 0.88 SLC6A2 (0.54) SLC6A2OPRM1OPRD1ACEITGB1
SCHEMBL29571797 0.86 OPRM1 (0.74) SLC6A2OPRM1OPRD1
SCHEMBL30423227 0.86 OPRM1 (0.74) SLC6A2OPRM1OPRD1
SCHEMBL6368156 0.86 ITGB1 (0.50) SLC6A2OPRM1ACEITGB1ITGA4
SCHEMBL21529634 0.86 NTSR2 (0.59) SLC6A2
SCHEMBL21529632 0.86 NTSR2 (0.59) SLC6A2
SCHEMBL21529635 0.86 NTSR2 (0.59) SLC6A2
SCHEMBL29453074 0.85 SLC6A2 (0.65) SLC6A2OPRM1OPRD1
SCHEMBL683119 0.85 SLC6A2 (0.56) SLC6A2OPRM1OPRD1ACE

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
US-20240287574-A1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS QIAGEN GMBH (DE) 2024-08-29 US disclosed