SCHEMBL5504458

SCHEMBL5504458

O=S(=O)(O)CCCNCCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CHRM2 P08172 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
SCN5A Q14524 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL5509232 0.94 CHRM2 (0.50) CA12CA1CA2CA4CHRM2
SCHEMBL6009935 0.85 CHRM2 (0.66) CA12CA1CA2CA4CHRM2
SCHEMBL5506845 0.84 HTR6 (0.36) CA12CA1CA2CA4CHRM2
SCHEMBL918611 0.84 CA12 (0.50) CA12CA1CA2CA4TAAR1
SCHEMBL5503261 0.83 MEN1 (0.47) KDM4ETAAR1SIGMAR1
SCHEMBL3136280 0.83 MGLL (0.44) TAAR1
SCHEMBL5503782 0.82 NOS1 (0.50) KDM4ETAAR1
SCHEMBL3139486 0.81 MGLL (0.51) CA2TAAR1SCN5A
SCHEMBL5775963 0.80 MEN1 (0.54) CA12CA1CA2CA4CHRM2
SCHEMBL778326 0.79 TAAR1 (0.46) CA12CA1CA2CA4TAAR1

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