SCHEMBL21205947

SCHEMBL21205947

O=C(O)CCNCc1cccc(-c2cccc(O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.54
FFAR1 O14842 3/20 0.49
FFAR4 Q5NUL3 2/20 0.49
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
HPGDS O60760 1/20 0.45
HIF1A Q16665 1/20 0.45
AOC3 Q16853 2/20 0.44
S1PR1 P21453 1/20 0.44
SLC2A4 P14672 1/20 0.44
FOLH1 Q04609 2/20 0.44
ENPP2 Q13822 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL3197343 0.91 SLC2A4 (0.53) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL21206102 0.87 FFAR1 (0.47) GRIA2FFAR1FFAR4S1PR1ENPP2
SCHEMBL19388034 0.82 S1PR4 (0.50) FFAR1FFAR4AOC3S1PR1FOLH1
SCHEMBL21206050 0.80 FFAR1 (0.42) FFAR1FFAR4HPGDSS1PR1FOLH1
SCHEMBL2450156 0.78 AOC3 (0.56) GRIA2AOC3
SCHEMBL12276187 0.78 SLC2A4 (0.56) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL2224632 0.77 MEN1 (0.64) FFAR1FFAR4S1PR1FOLH1
SCHEMBL3206273 0.77 S1PR5 (0.47) S1PR1FOLH1
SCHEMBL5474619 0.77 NAMPT (0.47) FFAR1FOLH1
SCHEMBL3199896 0.77 SPR (0.51) FFAR1DRD2S1PR1

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-2922821-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2019-07-31 EP disclosed