SCHEMBL2899771

SCHEMBL2899771

CC(C)/C=C/CN1CCC(c2cc(-c3ccccc3)cc(C(CC(C)C)C(=O)O)c2C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
SLC9A1 P19634 2/20 0.33
IKBKB O14920 2/20 0.32
CHUK O15111 2/20 0.32
RBP4 P02753 2/20 0.32
APP P05067 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
CCR5 P51681 2/20 0.31
KCNH2 Q12809 1/20 0.31
SCD5 Q86SK9 1/20 0.31
PRCP P42785 1/20 0.31
MCHR1 Q99705 1/20 0.31
DRD4 P21917 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2899774 1.00 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2903305 0.91 ALDH1A1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2903302 0.91 ALDH1A1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2923621 0.86 UBE2M (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27848819 0.84 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2904865 0.84 CTSK (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2922993 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27830446 0.82 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2922773 0.81 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27830443 0.81 PSEN1 (0.44) 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 2 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
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed