SCHEMBL12912905

SCHEMBL12912905

C=C(c1cc(F)cc(F)c1)N1CCC/C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)C1=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.64
PSEN2 P49810 20/20 0.64
APH1B Q8WW43 20/20 0.64
NCSTN Q92542 20/20 0.64
APH1A Q96BI3 20/20 0.64
PSENEN Q9NZ42 20/20 0.64
KCNH2 Q12809 4/20 0.64
NR1I2 O75469 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL14614596 0.87 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8737308 0.82 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1237639 0.81 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12713611 0.81 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1237637 0.81 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12713641 0.81 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12713610 0.81 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12713295 0.81 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8738174 0.80 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1240102 0.79 PSEN1 (0.59) 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
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed