SCHEMBL7809947

SCHEMBL7809947

CCOC(=O)N1CCN(Cc2ccccc2)CC1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.48
AGTR2 P50052 1/20 0.48
CCR1 P32246 1/20 0.47
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL14646619 0.91 PDK1 (0.59) MGLLPDK1PDK2PDK3PDK4
SCHEMBL14646667 0.87 MGLL (0.47) MGLLPDK1PDK2PDK3PDK4
SCHEMBL14917669 0.86 AGTR2 (0.62) L3MBTL1ATMALDH1A1AGTR2MAPK1
SCHEMBL14645770 0.85 MGLL (0.56) MGLLALDH1A1PTGDR2AGTR2CCR1
SCHEMBL7968974 0.85 MGLL (0.49) MGLLPDK1PDK2PDK3PDK4
SCHEMBL3664002 0.85 MGLL (0.49) MGLLPDK1PDK2PDK3PDK4
SCHEMBL3664004 0.85 MGLL (0.49) MGLLPDK1PDK2PDK3PDK4
SCHEMBL10525548 0.85 L3MBTL1 (0.54) L3MBTL1ATMALDH1A1AGTR2KDM4E
SCHEMBL1705195 0.85 PDK1 (0.53) MGLLPDK1PDK2PDK3PDK4
SCHEMBL1703970 0.85 PDK1 (0.53) MGLLPDK1PDK2PDK3PDK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727421-B1 Agents for improving sleep JANSSEN PHARMACEUTICA NV (BE) 2001-10-24 EP disclosed
EP-0727421-A1 Agents for improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-21 EP disclosed
US-5026853-A Sleep and cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-25 US disclosed
US-4968684-A N-ARYL-PIPERAZINEALKANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-06 US disclosed
US-4880808-A SEDATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-14 US disclosed
EP-0285219-A2 Method of improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1988-10-05 EP disclosed