SCHEMBL6906792

SCHEMBL6906792

CCCCOC(=O)N1CCN(C(=O)C(F)(F)F)CC1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.48
PDK2 Q15119 2/20 0.48
PDK3 Q15120 2/20 0.48
PDK4 Q16654 2/20 0.48
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GBA2 Q9HCG7 1/20 0.39
SMYD3 Q9H7B4 1/20 0.37
MAPT P10636 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
P2RY12 Q9H244 1/20 0.35

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
SCHEMBL14660395 0.84 LMNA (0.46) PDK1PDK2PDK3PDK4LMNA
SCHEMBL27544893 0.83 LMNA (0.44) PDK1PDK2PDK3PDK4LMNA
SCHEMBL4573340 0.81 SMN1; SMN2 (0.43) PDK1PDK2PDK3PDK4LMNA
SCHEMBL7788793 0.79 GBA2 (0.51) LMNAPOLBSMN1; SMN2GBA2
SCHEMBL3393183 0.77 PDK1 (0.43) PDK1PDK2PDK3PDK4LMNA
SCHEMBL3395559 0.77 SETD7 (0.47) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL22578805 0.75 POLB (0.46) LMNAPOLBSMN1; SMN2GBA2SMYD3
SCHEMBL3311629 0.75 LMNA (0.51) LMNAPOLBSMN1; SMN2P2RY12
SCHEMBL20589075 0.74 POLB (0.49) LMNAPOLBSMN1; SMN2GBA2MAPT
SCHEMBL29701090 0.73 LMNA (0.44) LMNAPOLBSMN1; SMN2GBA2SMYD3

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
EP-1490346-A2 STEREOSELECTIVE ALKYLATION OF CHIRAL 2-METHYL-4-PROTECTED PIPERAZINES SCHERING CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084942-A2 STEREOSELECTIVE ALKYLATION OF CHIRAL 2-METHYL-4-PROTECTED PIPERAZINES SCHERING CORPORATION (US) 2003-10-16 WO disclosed