SCHEMBL10130307

SCHEMBL10130307

Cc1ccc(-c2cc(C3CCCN(Cc4cc(C)cc(C(F)(F)F)c4)C3)cc(C(CC(C)C)C(=O)O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.49
PSEN2 P49810 3/20 0.49
APH1B Q8WW43 3/20 0.49
NCSTN Q92542 3/20 0.49
APH1A Q96BI3 3/20 0.49
PSENEN Q9NZ42 3/20 0.49
CNR2 P34972 1/20 0.39
APP P05067 1/20 0.39
PPARD Q03181 6/20 0.36
PPARG P37231 4/20 0.36
PDE2A O00408 1/20 0.35
PPARA Q07869 3/20 0.35
MDM2 Q00987 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
CACNA1B Q00975 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL10130284 0.97 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10130499 0.94 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478171 0.92 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478292 0.89 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478206 0.89 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478163 0.88 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL477892 0.87 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8056570 0.87 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012800 0.85 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10130313 0.85 PSEN1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212287-B1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed