SCHEMBL6917403

SCHEMBL6917403

CCCCN(CC(C)C)[C@@H]1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.46
PSEN2 P49810 13/20 0.46
APH1B Q8WW43 13/20 0.46
NCSTN Q92542 13/20 0.46
APH1A Q96BI3 13/20 0.46
PSENEN Q9NZ42 13/20 0.46
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
IDO1 P14902 1/20 0.39
GPR88 Q9GZN0 1/20 0.38
SLC6A3 Q01959 1/20 0.37
EDNRB P24530 1/20 0.34

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
SCHEMBL13964516 0.88 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2318915 0.86 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836640 0.83 SLC6A2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359941 0.83 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836441 0.83 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2315797 0.83 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2315786 0.82 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2316984 0.82 SLC6A2 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2314367 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2320297 0.81 PSEN1 (0.47) 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
WO-2011092611-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-08-04 WO disclosed