SCHEMBL2903608

SCHEMBL2903608

CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(CCCc3ccc(C(F)(F)F)cc3)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.56
PSEN2 P49810 2/20 0.56
APH1B Q8WW43 2/20 0.56
NCSTN Q92542 2/20 0.56
APH1A Q96BI3 2/20 0.56
PSENEN Q9NZ42 2/20 0.56
MCHR1 Q99705 5/20 0.45
KCNH2 Q12809 1/20 0.45
APP P05067 1/20 0.43
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
KDM2B Q8NHM5 1/20 0.37

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
SCHEMBL2905108 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2903409 0.95 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2905391 0.91 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478222 0.91 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478206 0.90 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478141 0.88 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012844 0.88 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8056570 0.87 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478171 0.87 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL477892 0.87 PSEN1 (0.57) 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 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-2009052341-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed