SCHEMBL15533552

SCHEMBL15533552

CC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(N)=O)cnc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.54
HPGDS O60760 1/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
MAP4K4 O95819 1/20 0.47
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
PDK2 Q15119 1/20 0.45
ALK Q9UM73 3/20 0.45
PIK3CA P42336 1/20 0.45
SYK P43405 1/20 0.44
MET P08581 2/20 0.44
CYP2C19 P33261 1/20 0.44
TBK1 Q9UHD2 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
SCHEMBL15666121 0.91 CKS1B (0.48) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL22738197 0.89 SMN1; SMN2 (0.48) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL15534051 0.87 MAOB (0.47) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL15535416 0.86 MAPT (0.51) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL15534243 0.85 ALK (0.49) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL15533996 0.83 EGLN2 (0.55) GPR119HPGDSMAPTALDH1A1LMNA
SCHEMBL15534033 0.83 HPGDS (0.50) HPGDSMAPTALDH1A1LMNATSHR
SCHEMBL15534257 0.82 MAPT (0.52) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL2420167 0.81 POLB (0.52) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL25303962 0.80 MAP4K4 (0.51) GPR119MAPTALDH1A1LMNAMEN1

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-2013177253-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-28 WO disclosed