SCHEMBL4506400

SCHEMBL4506400

CC(C(=O)O)C1CCN(Cc2ccccc2C(F)(F)F)C(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ ATM Q13315 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ EPHX2 P34913 3/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ FFAR1 O14842 3/20 0.38
▸ PPARG P37231 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ UBE2M P61081 1/20 0.38

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
SCHEMBL4512700 0.88 KCNH2 (0.44) KDM4EALDH1A1GAAPSEN1PSEN2
SCHEMBL4512703 0.88 KCNH2 (0.44) KDM4EALDH1A1GAAPSEN1PSEN2
SCHEMBL4516117 0.87 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4504179 0.87 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4503040 0.86 FFAR1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4493245 0.84 SLC6A2 (0.41) KDM4EALDH1A1EPHX2PSEN1PSEN2
SCHEMBL4493243 0.84 SLC6A2 (0.41) KDM4EALDH1A1EPHX2PSEN1PSEN2
SCHEMBL4495671 0.83 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4495674 0.83 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13604390 0.81 PSEN1 (0.51) KDM4EALDH1A1ATMNPSR1TDP1

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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