SCHEMBL2904651

SCHEMBL2904651

CC(C)CC(C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3cc(C(F)(F)F)ccc3C(F)(F)F)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
FFAR1 O14842 18/20 0.49
APP P05067 1/20 0.43

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
SCHEMBL2899449 0.94 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478206 0.89 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478171 0.88 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL477892 0.88 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8056570 0.88 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478141 0.88 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012844 0.88 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478222 0.87 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478163 0.86 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478292 0.85 PSEN1 (0.54) 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