SCHEMBL14218445

SCHEMBL14218445

CN(C)CCCCOC(=O)c1ccc(N)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.79
ALDH1A1 P00352 3/20 0.68
RAB9A P51151 3/20 0.68
NPC1 O15118 2/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 5/20 0.67
CYP1A2 P05177 4/20 0.67
CYP3A4 P08684 3/20 0.67
TSHR P16473 2/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
PDE4D Q08499 1/20 0.67
GAA P10253 2/20 0.66
SCN1A P35498 3/20 0.65
SCN2A Q99250 3/20 0.65
SCN3A Q9NY46 3/20 0.65
CYP2D6 P10635 2/20 0.65
DRD3 P35462 2/20 0.65
SLC6A3 Q01959 2/20 0.65
KCNH2 Q12809 2/20 0.65

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
SCHEMBL11641497 0.95 PHLPP2 (0.82) PHLPP2ALDH1A1RAB9ANPC1MAPT
SCHEMBL4835480 0.89 PHLPP2 (1.00) PHLPP2ALDH1A1RAB9ANPC1MAPT
SCHEMBL9629064 0.87 GAA (0.84) PHLPP2ALDH1A1RAB9ANPC1MAPT
SCHEMBL31122273 0.87 PHLPP2 (0.78) PHLPP2ALDH1A1RAB9ANPC1MAPT
SCHEMBL561945 0.87 NPC1 (0.80) PHLPP2ALDH1A1RAB9ANPC1MAPT
SCHEMBL4329445 0.85 NPC1 (0.83) PHLPP2ALDH1A1RAB9ANPC1MAPT
SCHEMBL4334904 0.85 NPC1 (0.83) PHLPP2ALDH1A1RAB9ANPC1MAPT
SCHEMBL4558859 0.85 NPC1 (0.83) PHLPP2ALDH1A1RAB9ANPC1MAPT
SCHEMBL17416888 0.85 NPC1 (0.83) PHLPP2ALDH1A1RAB9ANPC1MAPT
SCHEMBL4557168 0.85 NPC1 (0.83) PHLPP2ALDH1A1RAB9ANPC1MAPT

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
EP-1641729-B1 USE OF FUNCTIONALIZED ONIUM SALTS AS A SOLUBLE SUPPORT FOR ORGANIC SYNTHESIS CENTRE NAT RECH SCIENT (FR) 2008-05-07 EP disclosed