SCHEMBL2899149

SCHEMBL2899149

CCOC(=O)C(CC(C)C)c1cc(-c2ccccc2)cc(N2CCCCC2Cc2ccccc2C)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ATM Q13315 3/20 0.36
FFAR1 O14842 3/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 2/20 0.33
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
HMGCR P04035 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL2902440 0.92 ATM (0.38) KDM4EATMFFAR1ITGB1ITGA4
SCHEMBL27848799 0.90 L3MBTL1 (0.37) KDM4EATMITGB1ITGA4ALDH1A1
SCHEMBL27830432 0.86 GPR174 (0.38) KDM4EALDH1A1SMN1; SMN2SLC6A2SLC6A3
SCHEMBL27830414 0.82 PSEN1 (0.41) ATMALDH1A1PSEN1PSEN2APH1B
SCHEMBL478069 0.81 PSEN1 (0.43) KDM4EATMFFAR1ALDH1A1SMN1; SMN2
SCHEMBL2903614 0.79 CHRM3 (0.38) ATMCHRM3
SCHEMBL2903673 0.77 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27830418 0.76 PSEN1 (0.42) KDM4EALDH1A1PSEN1PSEN2APH1B
SCHEMBL2903596 0.75 KDM4E (0.38) KDM4EATMALDH1A1SMN1; SMN2SLC6A2
SCHEMBL478265 0.75 PSEN1 (0.54) ATMFFAR1PSEN1PSEN2APH1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101903347-B Piperidinyl and piperazinyl modulators of gamma-secretase JANSSEN PHARMACEUTICA NV 2013-03-27 CN disclosed
EP-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed