SCHEMBL20031799

SCHEMBL20031799

COc1cc(N2CC3CC[C@@H](C2)[C@@H]3N)cnn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.41
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
CHRNB2 P17787 5/20 0.37
CHRNB4 P30926 5/20 0.37
CHRNA3 P32297 5/20 0.37
CHRNA4 P43681 5/20 0.37
HRH4 Q9H3N8 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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 1.00 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21374330 1.00 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL20609147 1.00 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL28433668 1.00 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL18970854 1.00 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23902364 1.00 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL20159697 0.91 APP (0.38) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23923654 0.82 PSEN1 (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23923655 0.82 PSEN1 (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL22111574 0.82 PSEN1 (0.41) APPPSEN1PSEN2APH1BNCSTN

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
WO-2020120521-A1 7-PHENOXY-N-(3-AZABICYCLO[3.2.1]OCTAN-8-YL)-6,7-DIHYDRO-5H-PYRROLO[1,2-B][1,2,4]TRIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO disclosed
WO-2018060300-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2018-04-05 WO disclosed