SCHEMBL23130067

SCHEMBL23130067

CCCC(=O)NC1Cc2ccc(OC)c(C(=O)OCOC(=O)C(C)(C)C)c2OB1O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 6/20 0.38
▸ MTNR1A P48039 5/20 0.38
▸ KCNA3 P22001 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL17347756 1.00 MTNR1B (0.38) MTNR1BMTNR1AKCNA3L3MBTL1PDE4A
SCHEMBL17347815 0.93 MTNR1A (0.36) MTNR1BMTNR1AKCNA3L3MBTL1
SCHEMBL23130020 0.93 MTNR1A (0.36) MTNR1BMTNR1AKCNA3L3MBTL1
SCHEMBL23837457 0.90 MTNR1B (0.36) MTNR1BMTNR1AKCNA3
SCHEMBL23129972 0.89 MTNR1A (0.33) MTNR1BMTNR1A
SCHEMBL17347750 0.89 MTNR1A (0.33) MTNR1BMTNR1A
SCHEMBL17347775 0.89 MTNR1A (0.33) MTNR1BMTNR1AL3MBTL1
SCHEMBL23129720 0.89 MTNR1A (0.33) MTNR1BMTNR1AL3MBTL1
SCHEMBL23129888 0.89 MTNR1A (0.32) MTNR1BMTNR1A
SCHEMBL17347788 0.89 MTNR1A (0.32) MTNR1BMTNR1A

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-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 — — EP disclosed
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