SCHEMBL5223505

SCHEMBL5223505

NCCC(OP(=O)(O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.47
SLC6A2 P23975 5/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNK2 O95069 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1C Q13936 1/20 0.44
SRC P12931 1/20 0.41
CYP2D6 P10635 3/20 0.40
NOS2 P35228 3/20 0.40
POLB P06746 1/20 0.40
ACP3 P15309 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL29025201 0.86 SRC (0.44) SLC6A2SLC6A4SLC6A3SRCNOS2
SCHEMBL8435976 0.80 SMPD1 (0.45) SRCPOLB
SCHEMBL6908912 0.79 ALDH1A1 (0.45) SRCPOLBACP3
SCHEMBL3083466 0.79 CYP2C19 (0.39) SRCCYP2D6POLBACP3
SCHEMBL4943611 0.79 SMPD1 (0.51) POLB
SCHEMBL28370463 0.79 SRC (0.44) SRCCYP2D6POLBACP3
SCHEMBL759322 0.79 POLB (0.46) SRCPOLBACP3
SCHEMBL28980053 0.79 POLB (0.46) SRCPOLBACP3
SCHEMBL15641732 0.78 CYP1A2 (0.45) SLC6A3SRCCYP2D6ACP3
SCHEMBL8517444 0.78 S1PR2 (0.54) CYP2D6ACP3

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-1824468-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Tel Aviv University Future Technology Development L.P. (IL) 2007-08-29 EP disclosed
WO-2006054298-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2006-05-26 WO disclosed