SCHEMBL5686248

SCHEMBL5686248

CC(C)(C)OC(=O)N1CCN(c2cc(OC(F)F)cc(OC(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PDK2 Q15119 1/20 0.49
GPR119 Q8TDV5 7/20 0.48
RET P07949 1/20 0.48
NAMPT P43490 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALK Q9UM73 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL5683363 0.94 LMNA (0.50) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL6414232 0.90 GPR119 (0.56) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL7078017 0.90 MAPT (0.60) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL2724586 0.81 MAPT (0.53) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL31342653 0.81 ALK (0.51) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL19459053 0.81 ALK (0.51) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL24847981 0.80 MAPT (0.49) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL5573222 0.80 MAPT (0.76) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL8257643 0.80 MAPT (0.64) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL25307735 0.80 GPR119 (0.62) MAPTGPR119RET

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-1645556-A1 Arylpiperazine-benzoylamide derivatives useful as pharmaceutical agents Boehringer Ingelheim International GmbH (DE) 2006-04-12 EP disclosed