SCHEMBL18797980

SCHEMBL18797980

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.35
▸ DRD2 P14416 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ MAPT P10636 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
SCHEMBL19228009 0.90 DRD2 (0.33) DRD2HTR2ADRD3
SCHEMBL23837376 0.88 SMYD3 (0.34) MAPT
SCHEMBL22667381 0.87 MTNR1A (0.41) NAMPTDRD2HTR2ADRD3MAPT
SCHEMBL23130007 0.86 AAK1 (0.32) MAPT
SCHEMBL19228024 0.85 — —
SCHEMBL19228053 0.85 L3MBTL1 (0.32) —
SCHEMBL18966461 0.85 NAMPT (0.37) NAMPTDRD2HTR2ADRD3MAPT
SCHEMBL19663642 0.84 MAPT (0.34) MAPT
SCHEMBL17337169 0.84 NAMPT (0.38) NAMPTDRD2HTR2ADRD3MAPT
SCHEMBL17337165 0.84 NAMPT (0.38) NAMPTDRD2HTR2ADRD3MAPT

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-9637504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-05-02 — — US disclosed
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