SCHEMBL2358338

SCHEMBL2358338

CCOC(=O)C(C)(C(=O)OCC)C1CCC(N(CCC(C)C)CCC(C)C)C(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
ATM Q13315 1/20 0.34
SLC18A2 Q05940 1/20 0.33
P2RY14 Q15391 1/20 0.33
IDO1 P14902 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL14110091 0.88 PSEN1 (0.38) GPR88SLC6A2SLC6A4PSEN1PSEN2
SCHEMBL14110088 0.88 PSEN1 (0.38) GPR88SLC6A2SLC6A4PSEN1PSEN2
SCHEMBL13836520 0.88 PSEN1 (0.38) GPR88SLC6A2SLC6A4PSEN1PSEN2
SCHEMBL13835950 0.77 SLC6A2 (0.40) GPR88SLC6A2SLC6A4PSEN1PSEN2
SCHEMBL6917440 0.77 PSEN1 (0.39) GPR88SLC6A2SLC6A4PSEN1PSEN2
SCHEMBL2320306 0.77 PSEN1 (0.39) GPR88SLC6A2SLC6A4PSEN1PSEN2
SCHEMBL2320390 0.77 PSEN1 (0.39) GPR88SLC6A2SLC6A4PSEN1PSEN2
SCHEMBL13964516 0.76 PSEN1 (0.49) GPR88SLC6A2SLC6A4PSEN1PSEN2
SCHEMBL13964513 0.75 PSEN1 (0.39) GPR88PSEN1PSEN2APH1BNCSTN
SCHEMBL13836441 0.73 PSEN1 (0.54) GPR88SLC6A2SLC6A4PSEN1PSEN2

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