SCHEMBL21974440

SCHEMBL21974440

CN1CCN(c2ccc(-c3ccc4cc(OCCOCCOCCOSI)ccc4n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
XBP1 P17861 1/20 0.50
RAB9A P51151 1/20 0.50
KLF5 Q13887 1/20 0.50
MIF P14174 9/20 0.44
NCF1 P14598 4/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KCNH2 Q12809 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
MEN1 O00255 1/20 0.39
SLCO2B1 O94956 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL12403471 0.88 MAPT (0.54) MAPTSMN1; SMN2KDM4ENPC1XBP1
SCHEMBL483802 0.87 MAPT (0.55) MAPTSMN1; SMN2KDM4ENPC1XBP1
SCHEMBL21974441 0.81 APP (0.50) MAPTMIFNCF1
SCHEMBL21974470 0.81 MAPT (0.65) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL484006 0.81 MAPT (0.45) MAPTSMN1; SMN2KDM4ENPC1XBP1
SCHEMBL12403478 0.79 MIF (0.52) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL13127319 0.77 MAPT (0.53) MAPTSMN1; SMN2KDM4ENPC1XBP1
SCHEMBL483920 0.77 MAPT (0.56) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5957021 0.75 MAPT (0.66) MAPTSMN1; SMN2KDM4ENPC1XBP1
SCHEMBL15386063 0.73 DRD2 (0.48) MAPTSMN1; SMN2KDM4ENPC1XBP1

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-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed