SCHEMBL27680296

SCHEMBL27680296

CC(=O)OCC1CCN(Cc2ccccc2C(F)(F)F)C(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ TDP1 Q9NUW8 3/20 0.41
▸ ATM Q13315 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ PSEN1 P49768 4/20 0.38
▸ PSEN2 P49810 4/20 0.38
▸ APH1B Q8WW43 4/20 0.38
▸ NCSTN Q92542 4/20 0.38
▸ APH1A Q96BI3 4/20 0.38
▸ PSENEN Q9NZ42 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ LIPE Q05469 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
SCHEMBL13604386 0.85 KDM4E (0.44) KDM4EALDH1A1TDP1ATMNPSR1
SCHEMBL2867021 0.84 PSEN1 (0.51) KDM4EALDH1A1TDP1ATMNPSR1
SCHEMBL2864187 0.84 PSEN1 (0.51) KDM4EALDH1A1TDP1ATMNPSR1
SCHEMBL13604390 0.84 PSEN1 (0.51) KDM4EALDH1A1TDP1ATMNPSR1
SCHEMBL4506400 0.78 KDM4E (0.45) KDM4EALDH1A1TDP1ATMNPSR1
SCHEMBL8267623 0.75 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13513791 0.75 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4512462 0.75 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2853999 0.75 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4512459 0.75 PSEN1 (0.53) 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
CN-101044115-A Piperidines and related compounds for treatment of alzheimer's disease MERCK SHARP & DOHME (GB) 2007-09-26 — — CN disclosed
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