SCHEMBL18971202

SCHEMBL18971202

Cc1nsc(N2CC3CC[C@@H](C2)[C@@H]3Nc2nc3c(OCC(F)(F)F)cccn3n2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 1.00
PSEN2 P49810 20/20 1.00
APH1B Q8WW43 20/20 1.00
NCSTN Q92542 20/20 1.00
APH1A Q96BI3 20/20 1.00
PSENEN Q9NZ42 20/20 1.00
PI4KB Q9UBF8 5/20 1.00
KCNH2 Q12809 2/20 0.75

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
SCHEMBL18952644 1.00 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21726782 1.00 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20609136 1.00 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21726894 0.93 PSEN1 (0.86) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20609151 0.93 PSEN1 (0.86) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20609152 0.93 PSEN1 (0.86) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18952589 0.92 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18971057 0.92 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21726891 0.92 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18952601 0.92 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A

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-3386978-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
WO-2017097728-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 WO disclosed