SCHEMBL8165355

SCHEMBL8165355

COc1cc(/C=C2\OCCN3C2=NOC(C(C)C)C3c2ccc(F)cc2)ccc1-n1cnc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.58
PSEN2 P49810 20/20 0.58
APH1B Q8WW43 20/20 0.58
NCSTN Q92542 20/20 0.58
APH1A Q96BI3 20/20 0.58
PSENEN Q9NZ42 20/20 0.58
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
KCNH2 Q12809 2/20 0.52
NR1I2 O75469 1/20 0.52

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
SCHEMBL8149897 0.95 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13099862 0.91 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8160580 0.88 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8167861 0.87 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8167690 0.84 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13099860 0.82 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8161063 0.80 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13099863 0.78 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8154821 0.78 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8737145 0.76 PSEN1 (0.52) 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-2008153793-A2 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2008-12-18 WO disclosed