SCHEMBL23129657

SCHEMBL23129657

COc1cc2c(c(C(=O)OCOC(=O)C(C)(C)C)c1)OB(O)C(NC(C)=O)C2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.33
▸ MTNR1B P49286 1/20 0.32

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
SCHEMBL17347809 1.00 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL17347674 0.91 POLB (0.30) MTNR1AMTNR1B
SCHEMBL23129647 0.91 POLB (0.30) MTNR1AMTNR1B
SCHEMBL23129891 0.89 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL17347827 0.89 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL23129714 0.89 PRKCB (0.33) —
SCHEMBL17347816 0.89 PRKCB (0.33) —
SCHEMBL17347844 0.88 PRKCB (0.31) —
SCHEMBL17347799 0.88 PARP1 (0.32) —
SCHEMBL23130039 0.88 PARP1 (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 2 patents. 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
EP-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 — — EP disclosed
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