SCHEMBL3433130

SCHEMBL3433130

CCC(=O)/C=C/c1ccccc1CN(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.53
NFE2L2 Q16236 2/20 0.43
PTGER3 P43115 4/20 0.40
PTGER2 P43116 4/20 0.40
PTGER4 P35408 3/20 0.40
TBXA2R P21731 2/20 0.39
PTGDR Q13258 2/20 0.39
BACE1 P56817 1/20 0.38
PTGER1 P34995 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PTGFR P43088 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5915815 0.80 BCHE (0.47) PTGER3PTGER2PTGER4SLC6A2SLC6A4
SCHEMBL5915534 0.80 BCHE (0.47) PTGER3PTGER2PTGER4SLC6A2SLC6A4
SCHEMBL5915531 0.77 BCHE (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL5915528 0.77 BCHE (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL5915588 0.77 BCHE (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL780429 0.77 IAPP (0.47) IAPPNFE2L2PTGER3PTGER2PTGER4
SCHEMBL780428 0.77 IAPP (0.47) IAPPNFE2L2PTGER3PTGER2PTGER4
SCHEMBL5915789 0.77 MAOB (0.44) NFE2L2LMNAMAPT
SCHEMBL5915673 0.77 MAOB (0.44) NFE2L2LMNAMAPT
SCHEMBL5915745 0.76 LMNA (0.53) SLC6A2SLC6A4SLC6A3LMNAMAPT

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-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed