SCHEMBL2365239

SCHEMBL2365239

Cc1nsc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5F)cccn4n3)[C@@H](F)C2)n1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.73
PSEN2 P49810 20/20 0.73
APH1B Q8WW43 20/20 0.73
NCSTN Q92542 20/20 0.73
APH1A Q96BI3 20/20 0.73
PSENEN Q9NZ42 20/20 0.73
PI4KB Q9UBF8 3/20 0.73
KCNH2 Q12809 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL2270849 1.00 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2270843 1.00 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2271052 1.00 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17915499 0.92 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6904918 0.90 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6904915 0.88 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2273771 0.87 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6905555 0.85 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2270076 0.85 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2275718 0.85 PSEN1 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed