SCHEMBL20159697

SCHEMBL20159697

COc1cc(N2C[C@H]3C[C@@H](C2)[C@@H]3N)cnn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.38
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
CHRNB2 P17787 7/20 0.37
CHRNA4 P43681 7/20 0.37
CHRNB4 P30926 6/20 0.37
CHRNA3 P32297 6/20 0.37

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
SCHEMBL20609148 0.91 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL18970854 0.91 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL28433668 0.91 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL20031799 0.91 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL20609147 0.91 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23902364 0.91 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21374330 0.91 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23504757 0.81 APP (0.33) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23504818 0.80 CHRNA3 (0.36) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23504807 0.80 CHRNB2 (0.39) APPCHRNB2CHRNA4CHRNB4CHRNA3

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-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed