SCHEMBL7236756

SCHEMBL7236756

C[C@H](NC(=O)C(O)c1cc(F)ccc1F)C(=O)NC1N=C(c2ccccn2)c2ccccc2N(C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.53
PSEN2 P49810 5/20 0.53
APH1B Q8WW43 5/20 0.53
NCSTN Q92542 5/20 0.53
APH1A Q96BI3 5/20 0.53
PSENEN Q9NZ42 5/20 0.53
GSAP A4D1B5 1/20 0.53
CCKBR P32239 12/20 0.52
SPPL2A Q8TCT8 1/20 0.47
CCKAR P32238 8/20 0.46
NOTCH1 P46531 1/20 0.46
NOTCH3 Q9UM47 1/20 0.46

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
SCHEMBL7536076 0.88 CCKBR (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4994804 0.88 CCKBR (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4411861 0.88 CCKBR (0.57) CCKBRCCKAR
SCHEMBL4423494 0.87 CCKBR (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7228006 0.87 CCKBR (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4415245 0.85 CCKBR (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4414894 0.84 CCKBR (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4414822 0.84 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4995861 0.82 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4413108 0.81 PSEN1 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6667305-B1 Alzheimer's disease; beta-amyloid peptide is a small fragment of the amyloid precursor protein ATHENA NEUROSCIENCES, INC. 2003-12-23 US disclosed
US-6635632-B1 Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-10-21 US disclosed