SCHEMBL7227787

SCHEMBL7227787

C[C@H](NCCCCCCCCCCCCCCCCc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2-c2ccccc2CC1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.42
PSEN2 P49810 5/20 0.42
APH1B Q8WW43 5/20 0.42
NCSTN Q92542 5/20 0.42
APH1A Q96BI3 5/20 0.42
PSENEN Q9NZ42 5/20 0.42
MMP9 P14780 10/20 0.40
MMP2 P08253 10/20 0.40
MMP1 P03956 8/20 0.40
MMP8 P22894 5/20 0.40
ADAMTS4 O75173 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
VIPR2 P41587 1/20 0.36

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
SCHEMBL4991028 0.82 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4988874 0.74 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4992626 0.74 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4988321 0.74 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7424788 0.74 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4985403 0.67 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4989383 0.67 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15851260 0.65 MMP9 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15851257 0.65 MMP9 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14197169 0.65 MMP9 (0.62) 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-6541466-B2 Such as 1-(N'-(3,5-difluorophenylacetyl)-L-alaninyl)-aminodibenzosuberane; for treatment of Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-04-01 US disclosed