SCHEMBL13611449

SCHEMBL13611449

C=C(C)C#C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@H](CC(=O)O)C[C@@H]1C1C=CC(C(F)(F)F)=CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.34
▸ PSEN2 P49810 2/20 0.34
▸ APH1B Q8WW43 2/20 0.34
▸ NCSTN Q92542 2/20 0.34
▸ APH1A Q96BI3 2/20 0.34
▸ PSENEN Q9NZ42 2/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.33

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
SCHEMBL8267687 0.93 FFAR4 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8267688 0.93 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8267750 0.91 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13611891 0.91 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8267751 0.91 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13611596 0.91 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8269065 0.90 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8268786 0.90 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8268777 0.88 ITGB3 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13611636 0.88 PSEN1 (0.33) 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-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 — — US disclosed
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