SCHEMBL8911797

SCHEMBL8911797

OCCCCCCNCc1ccccc1.OCCCCCNCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.80
CHRM2 P08172 1/20 0.77
SIGMAR1 Q99720 5/20 0.69
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 1/20 0.61
HDAC3 O15379 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
NCOR2 Q9Y618 2/20 0.60
MPO P05164 1/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ACHE P22303 2/20 0.53

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
SCHEMBL7982481 1.00 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL7984635 1.00 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL7986745 0.98 CHRM2 (0.81) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8030792 0.98 CHRM2 (0.81) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8034858 0.98 CHRM2 (0.81) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL1040171 0.98 MAOA (0.76) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8029033 0.96 CHRM2 (0.78) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8032640 0.96 CHRM2 (0.78) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8034873 0.94 CHRM2 (0.81) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8029046 0.92 CHRM2 (0.77) MAOACHRM2SIGMAR1MEN1KMT2A

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
WO-1997048705-A1 POTASSIUM CHANNEL BLOCKERS UNIVERSITY COLLEGE LONDON (GB) 1997-12-24 WO disclosed