SCHEMBL2922993

SCHEMBL2922993

CC(C)CC(C(=O)O)c1cc(-c2ccccc2)cc(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
CHRM4 P08173 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
HIF1A Q16665 1/20 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
SCHEMBL2915152 0.91 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2903595 0.90 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28790853 0.88 BCHE (0.44) KCNH2SIGMAR1CHRM4L3MBTL1DRD4
SCHEMBL2922773 0.88 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2923621 0.86 UBE2M (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28791102 0.85 ATM (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2904865 0.84 CTSK (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2899774 0.83 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2899771 0.83 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27830446 0.82 PSEN1 (0.41) 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 7 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-101903334-A GSM intermediates JANSSEN PHARMACEUTICA NV 2010-12-01 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
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