SCHEMBL8030952

SCHEMBL8030952

CCC(c1ccc(F)cc1)N1CCCn2c(-c3ccc(N4C=NC(C)C4)c(O)c3)nnc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 17/20 0.55
▸ PSEN2 P49810 17/20 0.55
▸ APH1B Q8WW43 17/20 0.55
▸ NCSTN Q92542 17/20 0.55
▸ APH1A Q96BI3 17/20 0.55
▸ PSENEN Q9NZ42 17/20 0.55
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ P2RX7 Q99572 2/20 0.31

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
SCHEMBL8044877 0.80 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12913746 0.71 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12914012 0.65 PSEN1 (0.86) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12914124 0.59 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14435697 0.55 TP53 (0.48) TSHR
SCHEMBL27677106 0.50 CYP17A1 (0.60) GAATSHR
SCHEMBL12513634 0.50 SLC6A2 (0.54) TSHR
SCHEMBL16301327 0.50 CYP17A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25883264 0.50 SIGMAR1 (0.39) TSHR
SCHEMBL17595700 0.50 GAA (0.51) GAATSHRP2RX7

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-2009073777-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-11 — — WO disclosed
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