SCHEMBL4728868

SCHEMBL4728868

CC(C)(C)OC(=O)N1CCN(c2cccc3ccc(C(F)(F)F)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
BACE1 P56817 2/20 0.49
GPR119 Q8TDV5 4/20 0.48
MTNR1B P49286 1/20 0.47
PDK2 Q15119 1/20 0.47
HTR1A P08908 2/20 0.47
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
ACHE P22303 1/20 0.45
GOT1 P17174 2/20 0.44
TGFBR1 P36897 1/20 0.44
POLB P06746 1/20 0.44
MC4R P32245 1/20 0.44
GAA P10253 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
SCHEMBL4725640 0.91 MAPT (0.49) MAPTBACE1GPR119PDK2ALDH1A1
SCHEMBL5373904 0.86 BACE1 (0.51) MAPTBACE1GPR119MTNR1BPDK2
SCHEMBL5372246 0.85 HTR5A (0.55) MAPTBACE1GPR119MTNR1BPDK2
SCHEMBL31185603 0.85 HTR5A (0.55) MAPTBACE1GPR119MTNR1BPDK2
SCHEMBL5375431 0.84 BACE1 (0.51) MAPTBACE1GPR119MTNR1BHTR1A
SCHEMBL6308917 0.84 BACE1 (0.51) MAPTBACE1GPR119MTNR1BPDK2
SCHEMBL4558301 0.83 BACE1 (0.59) MAPTBACE1GPR119HTR1AHTR1D
SCHEMBL5379402 0.83 BACE1 (0.50) MAPTBACE1GPR119MTNR1BPDK2
SCHEMBL5363589 0.83 MTNR1B (0.69) MAPTBACE1MTNR1BHTR1AHTR1D
SCHEMBL5366413 0.82 BACE1 (0.49) MAPTBACE1GPR119MTNR1BPDK2

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
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed