SCHEMBL9851901

SCHEMBL9851901

CCCC(O)CCN(CCC)CCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.33
FDPS P14324 1/20 0.32
DRD2 P14416 2/20 0.31
HTR1A P08908 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 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
SCHEMBL5824397 0.85 PLA2G1B (0.34) FDPSLMNA
SCHEMBL27780350 0.82 GABRR1 (0.31) DRD3
SCHEMBL3536789 0.80 ALDH1A1 (0.39) CA12CA2CA9LMNA
SCHEMBL5681340 0.79 DRD3 (0.34) DRD3FDPSDRD2HTR1ACA12
SCHEMBL29234737 0.79 FFAR4 (0.47) FDPSNFKB1
SCHEMBL22249 0.78
SCHEMBL9571728 0.77 TSHR (0.32) TSHR
SCHEMBL1230885 0.77 TSHR (0.38) DRD3FDPSDRD2HTR1ACA12
SCHEMBL12655319 0.75 PLA2G1B (0.34) DRD3DRD2HTR1ACA12CA2
Hydrochloric Acid SCHEMBL9798772 0.74 FDPS (0.43) DRD3FDPSCYP3A4TSHRNFKB1

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-0410359-A1 Substituted aminoalkoxy-benzene-derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-30 EP disclosed