SCHEMBL14248396

SCHEMBL14248396

COC1(OC)CCN(C(=O)OCc2ccccc2)C(C)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 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
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PREP P48147 1/20 0.45
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL21241492 0.85 HTR2C (0.52) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL12293392 0.81 SMN1; SMN2 (0.47) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL2438212 0.81 HTR2C (0.48) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL7714230 0.81 HTR2C (0.48) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL20656916 0.80 PDK1 (0.49) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL2435263 0.80 PDK1 (0.49) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL2592306 0.79 MEN1 (0.59) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL12327550 0.79 PDK1 (0.44) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL12293389 0.79 PDK1 (0.44) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL28411733 0.79 HTR2C (0.59) HTR2CPDK1PDK2PDK3PDK4

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-2012172449-A1 LACTAMS AS BETA SECRETASE INHIBITORS PFIZER INC. (US) 2012-12-20 WO disclosed