SCHEMBL20159608

SCHEMBL20159608

CN(C)CCCNC(=O)CC1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.53
NFE2L2 Q16236 3/20 0.53
DNM1 Q05193 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.38
PARP1 P09874 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
DRD2 P14416 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
PAOX Q6QHF9 1/20 0.36

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
SCHEMBL21569629 0.85 DNM1 (0.41) KEAP1NFE2L2DNM1SIGMAR1LMNA
SCHEMBL15721226 0.83 KEAP1 (0.52) KEAP1NFE2L2SIGMAR1PARP1DRD2
SCHEMBL9478831 0.79 LMNA (0.48) LMNA
SCHEMBL13817642 0.79 LMNA (0.53) LMNA
SCHEMBL24352361 0.77 KEAP1 (0.50) KEAP1NFE2L2SIGMAR1KDM4EPARP1
SCHEMBL10274873 0.76 KEAP1 (0.48) KEAP1NFE2L2SIGMAR1PARP1PIK3CA
SCHEMBL19098397 0.75 GNAI3 (0.39) LMNAKDM4EPAOX
SCHEMBL20159513 0.75 GNAI3 (0.49) LMNA
SCHEMBL27259890 0.75 KEAP1 (0.48) KEAP1NFE2L2SIGMAR1KDM4EPARP1
SCHEMBL12906768 0.75 KEAP1 (0.48) KEAP1NFE2L2SIGMAR1KDM4EPARP1

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-2018089695-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-05-17 WO disclosed