SCHEMBL2903596

SCHEMBL2903596

CCOC(=O)C(CC(C)C)c1cc(-c2ccccc2)cc(C2CCCCN2CCC(C)C)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CACNA1B Q00975 4/20 0.34
REN P00797 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
LMNA P02545 1/20 0.32
ACE P12821 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL2904747 0.91 PSEN1 (0.39) CACNA1BMEN1KMT2APSEN1PSEN2
SCHEMBL2902243 0.85 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL2916426 0.85 UBE2M (0.39) KDM4EALDH1A1
SCHEMBL2919438 0.82 CTSK (0.41)
SCHEMBL27848908 0.82 ATM (0.40) KDM4EALDH1A1SMN1; SMN2DPP4DPP7
SCHEMBL27848934 0.82 OPRM1 (0.38) KDM4EALDH1A1L3MBTL1LMNANPSR1
SCHEMBL27830429 0.81 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2DPP4DPP7
SCHEMBL27830420 0.80 L3MBTL1 (0.34) ALDH1A1SMN1; SMN2RENATML3MBTL1
SCHEMBL27830432 0.80 GPR174 (0.38) KDM4EALDH1A1SMN1; SMN2DPP4DPP7
SCHEMBL27894666 0.80 SLC6A3 (0.42) ALDH1A1PSEN1PSEN2APH1BNCSTN

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-A Piperidinyl and piperazinyl modulators of gamma-secretase JANSSEN PHARMACEUTICA NV 2010-12-01 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