SCHEMBL8051499

SCHEMBL8051499

CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCNC2)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.65
PSEN2 P49810 3/20 0.65
APH1B Q8WW43 3/20 0.65
NCSTN Q92542 3/20 0.65
APH1A Q96BI3 3/20 0.65
PSENEN Q9NZ42 3/20 0.65
APP P05067 2/20 0.49
P2RY14 Q15391 4/20 0.42
TMEM97 Q5BJF2 2/20 0.42
HTR2A P28223 2/20 0.41
ADRB3 P13945 1/20 0.41
HTR1B P28222 1/20 0.41
HRH1 P35367 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40

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
SCHEMBL10129811 1.00 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478077 0.89 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478232 0.89 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8045197 0.88 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478188 0.85 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478207 0.85 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012836 0.85 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8050916 0.85 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478205 0.85 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478189 0.85 PSEN1 (0.62) 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-B1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed