SCHEMBL2904747

SCHEMBL2904747

CC(C)CCN1CCCCC1c1cc(-c2ccccc2)cc(C(CC(C)C)C(=O)O)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
APP P05067 1/20 0.34
MC4R P32245 2/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
KCNQ2 O43526 1/20 0.33
CACNA1B Q00975 3/20 0.33
CCR2 P41597 1/20 0.33
CTSK P43235 1/20 0.33
OPRK1 P41145 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
MCHR1 Q99705 2/20 0.32
TMEM97 Q5BJF2 1/20 0.32
HMGCR P04035 1/20 0.31
MEN1 O00255 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
SCHEMBL2903596 0.91 KDM4E (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2903669 0.84 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27830540 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2923621 0.84 UBE2M (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27830425 0.81 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2904865 0.80 CTSK (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27830446 0.80 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27848822 0.79 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27848935 0.79 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27848839 0.78 PSEN1 (0.38) 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
CN-101903347-B Piperidinyl and piperazinyl modulators of gamma-secretase JANSSEN PHARMACEUTICA NV 2013-03-27 CN disclosed
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