SCHEMBL29907798

SCHEMBL29907798

Fc1cccc(-c2cnc[nH]2)c1F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 0.55
ADRA2A P08913 2/20 0.54
ADRA2B P18089 1/20 0.49
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.46
SCN9A Q15858 1/20 0.44
PIM1 P11309 1/20 0.44

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
SCHEMBL871588 0.85 IDO1 (0.63) IDO1ADRA2AADRA2BPOLBSMN1; SMN2
SCHEMBL30538054 0.85 IDO1 (0.63) IDO1ADRA2AADRA2BPOLBSMN1; SMN2
SCHEMBL27820767 0.83 IDO1 (0.51) IDO1ADRA2APOLBSMN1; SMN2CYP3A4
SCHEMBL19044256 0.82 IDO1 (0.51) IDO1ADRA2AADRA2BPOLBSMN1; SMN2
SCHEMBL26259992 0.78 ADRA2A (0.66) IDO1ADRA2AADRA2BCYP3A4
SCHEMBL26260004 0.73 IDO1 (0.58) IDO1ADRA2AADRA2BCYP3A4
SCHEMBL31140103 0.73 ADRA2A (0.63) IDO1ADRA2AADRA2BPOLBSMN1; SMN2
SCHEMBL1948725 0.71 IDO1 (1.00) IDO1ADRA2AADRA2BCYP3A4
SCHEMBL13517203 0.71 IDO1 (0.66) IDO1ADRA2AADRA2BCYP3A4
SCHEMBL28226913 0.71 AURKA (0.42)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4554572-A2 MIXTURES AND USES OF (2E)-3-(1,3-BENZODIOXOL-5-YL)-N-PHENYL-N-(TETRAHYDRO-3-FURANYL)-2-PROPENAMIDE Symrise AG (DE) 2025-05-21 EP disclosed
WO-2022207944-A9 NOVEL MIXTURES AND USES OF (2E)-3-(1,3-BENZODIOXOL-5-YL)-N-PHENYL-N-(TETRAHYDRO-3-FURANYL)-2-PROPENAMIDE SYMRISE AG (DE) 2022-12-15 WO disclosed
WO-2022207944-A2 NOVEL MIXTURES AND USES OF (2E)-3-(1,3-BENZODIOXOL-5-YL)-N-PHENYL-N-(TETRAHYDRO-3-FURANYL)-2-PROPENAMIDE SYMRISE AG (DE) 2022-10-06 WO disclosed