SCHEMBL2903673

SCHEMBL2903673

COCCCC1CCCCN1c1cc(-c2ccccc2)cc([C@@H](CC(C)C)C(=O)O)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CHRM3 P20309 9/20 0.35
MAP3K5 Q99683 1/20 0.33
MC4R P32245 3/20 0.33
APP P05067 1/20 0.32
POLB P06746 1/20 0.31
REN P00797 1/20 0.31
KCNQ2 O43526 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 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
SCHEMBL2903614 0.94 CHRM3 (0.38) CHRM3MAP3K5
SCHEMBL27830414 0.87 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27830418 0.83 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2902440 0.83 ATM (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27848799 0.81 L3MBTL1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478132 0.79 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478130 0.79 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478129 0.79 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27848815 0.78 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27848814 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 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