SCHEMBL23837412

SCHEMBL23837412

CCOC(O)c1cccc2c1OB(O)[C@@H](NC(=O)CCNS(C)(=O)=O)C2

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL19228055 0.93 — —
SCHEMBL18797988 0.92 — —
SCHEMBL19663698 0.91 USP2 (0.31) —
SCHEMBL18797983 0.88 — —
SCHEMBL19662835 0.86 MTNR1A (0.31) —
SCHEMBL23129882 0.86 — —
SCHEMBL23129909 0.85 MTNR1A (0.31) —
SCHEMBL18797964 0.85 MEN1 (0.32) —
SCHEMBL21539671 0.84 — —
SCHEMBL18797989 0.84 MTNR1A (0.32) —

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
EP-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 — — EP disclosed
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