SCHEMBL2915152

SCHEMBL2915152

CC(C)CC(C(=O)O)c1cc(-c2ccccc2)cc(C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
CNR2 P34972 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 1/20 0.40
S1PR5 Q9H228 1/20 0.40
PDE2A O00408 1/20 0.40
SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL28791102 0.95 ATM (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2922993 0.91 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2903682 0.91 PDE2A (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2903465 0.91 CHRM4 (0.42) DRD2DRD4L3MBTL1ATMCNR2
SCHEMBL27894669 0.90 POLB (0.44) L3MBTL1ATMCNR2S1PR1S1PR3
SCHEMBL27829105 0.89 CNR2 (0.43) DRD2DRD4L3MBTL1ATMCNR2
SCHEMBL27848935 0.88 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2903669 0.87 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2901715 0.87 LMNA (0.41) CNR2S1PR1HTR2AS1PR5KDM4E
SCHEMBL27848836 0.86 L3MBTL1 (0.48) L3MBTL1ATMCNR2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
EP-2209764-A1 GSM INTERMEDIATES Janssen Pharmaceutica, N.V. (BE) 2010-07-28 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
WO-2009052341-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed