SCHEMBL5509232

SCHEMBL5509232

O=S(=O)(O)CCCNCCCc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
SCN5A Q14524 1/20 0.48
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MPO P05164 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL5504458 0.94 CA12 (0.50) CHRM2SCN5ASIGMAR1CA12CA1
SCHEMBL3136280 0.86 MGLL (0.44) KCNH2
SCHEMBL6009935 0.85 CHRM2 (0.66) CHRM2KCNH2CA12CA1CA2
SCHEMBL3139486 0.84 MGLL (0.51) SCN5ACA2
SCHEMBL5500434 0.82 MPO (0.48) SIGMAR1DRD3MPO
SCHEMBL778326 0.79 TAAR1 (0.46) KCNH2CA12CA1CA2CA4
SCHEMBL918611 0.77 CA12 (0.50) KCNH2SIGMAR1CA12CA1CA2
SCHEMBL5506845 0.77 HTR6 (0.36) CHRM2KCNH2SIGMAR1CA12CA1
SCHEMBL5503261 0.77 MEN1 (0.47) SIGMAR1HDAC1HDAC8
Methane SCHEMBL7260125 0.77 TAAR1 (0.45) KCNH2CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828111-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-05 EP disclosed
WO-2006059252-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-08 WO disclosed