SCHEMBL7262602

SCHEMBL7262602

CC(C)[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.65
PSEN2 P49810 3/20 0.65
APH1B Q8WW43 3/20 0.65
NCSTN Q92542 3/20 0.65
APH1A Q96BI3 3/20 0.65
PSENEN Q9NZ42 3/20 0.65
GSAP A4D1B5 1/20 0.65
CCKBR P32239 8/20 0.64
NOTCH1 P46531 1/20 0.60
NOTCH3 Q9UM47 1/20 0.60
KCNH2 Q12809 1/20 0.55
SPPL2A Q8TCT8 1/20 0.55
SCN9A Q15858 3/20 0.55

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
SCHEMBL4418478 1.00 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29404290 0.92 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16417117 0.92 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4413298 0.92 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL33527945 0.92 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25314617 0.92 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4412727 0.89 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4552344 0.86 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7696546 0.85 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4414764 0.83 PSEN1 (0.75) 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-6653303-B1 Fused nitroheterocycle with amino and amido functionality; inhibiting beta-amyloid peptide release and/or synthesis; Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-11-25 US disclosed