SCHEMBL20141419

SCHEMBL20141419

CC(C)(C)OC(=O)N1CCCN(c2cccc(C#N)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.52
EGLN2 Q96KS0 1/20 0.51
CHRM4 P08173 1/20 0.50
PDK2 Q15119 1/20 0.49
FAAH O00519 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 2/20 0.47
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MGLL Q99685 1/20 0.45
NOTUM Q6P988 1/20 0.45

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
SCHEMBL688078 0.95 GPR119 (0.56) GPR119EGLN2CHRM4PDK2FAAH
SCHEMBL29475535 0.87 GPR119 (0.59) GPR119PDK2ALDH1A1LMNAMAPT
SCHEMBL25317704 0.87 GPR119 (0.59) GPR119PDK2ALDH1A1LMNAMAPT
SCHEMBL5235667 0.86 ALDH1A1 (0.57) GPR119EGLN2PDK2FAAHALDH1A1
SCHEMBL3487620 0.85 GPR119 (0.72) GPR119CHRM4NOTUM
SCHEMBL7372018 0.84 GPR119 (0.57) GPR119EGLN2PDK2ALDH1A1LMNA
SCHEMBL25317395 0.84 GPR119 (0.62) GPR119PDK2ALDH1A1LMNAMAPT
SCHEMBL29475574 0.84 GPR119 (0.62) GPR119PDK2ALDH1A1LMNAMAPT
SCHEMBL15584576 0.83 GPR119 (0.56) GPR119PDK2ALDH1A1LMNAMAPT
SCHEMBL24216358 0.83 GPR119 (0.56) GPR119EGLN2PDK2ALDH1A1LMNA

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
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed