SCHEMBL2897136

SCHEMBL2897136

CCCCCN1CCCC(c2cc(-c3ccc(C(F)(F)F)cc3)cc(C(CC(C)C)C(=O)OCC)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
MCHR1 Q99705 2/20 0.42
P2RY14 Q15391 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
APP P05067 1/20 0.37
DRD3 P35462 5/20 0.37
DRD2 P14416 4/20 0.37
ACHE P22303 1/20 0.37
DRD1 P21728 3/20 0.36
DRD4 P21917 3/20 0.36
DRD5 P21918 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL478285 0.93 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2905391 0.91 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478055 0.91 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2897154 0.90 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478299 0.89 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478139 0.88 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478203 0.87 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478144 0.87 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478267 0.86 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL477929 0.86 PSEN1 (0.47) 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