SCHEMBL2903669

SCHEMBL2903669

CC(C)CCN1CCCC(c2cc(-c3ccccc3)cc(C(CC(C)C)C(=O)O)c2C(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
DRD2 P14416 3/20 0.38
DRD1 P21728 3/20 0.38
DRD4 P21917 3/20 0.38
DRD5 P21918 3/20 0.38
DRD3 P35462 3/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM2B Q8NHM5 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL27848935 0.92 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2923621 0.91 UBE2M (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2902243 0.91 ALDH1A1 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL28791102 0.90 ATM (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27848822 0.88 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2915152 0.87 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27848804 0.86 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27848821 0.86 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27894669 0.86 POLB (0.44) S1PR1S1PR3
SCHEMBL2904865 0.86 CTSK (0.40) 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