SCHEMBL18966855

SCHEMBL18966855

CCCC(=O)N[C@H]1Cc2cccc(C(=O)OCOC(=O)CCC(F)(F)F)c2OB1O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ NAMPT P43490 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL18966537 0.96 NAMPT (0.34) NAMPT
SCHEMBL18966535 0.94 NAMPT (0.33) NAMPT
SCHEMBL18957181 0.94 NAMPT (0.32) MTNR1AMTNR1BNAMPTTDP1L3MBTL1
SCHEMBL18957183 0.94 NAMPT (0.32) MTNR1AMTNR1BNAMPTTDP1L3MBTL1
SCHEMBL18966645 0.93 NAMPT (0.32) NAMPT
SCHEMBL18966611 0.92 NAMPT (0.32) NAMPT
SCHEMBL21539512 0.92 NAMPT (0.32) NAMPT
SCHEMBL18966996 0.92 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL18966545 0.91 NAMPT (0.33) NAMPT
SCHEMBL18966680 0.91 NAMPT (0.32) NAMPT

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
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 — — WO disclosed
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