SCHEMBL8934348

SCHEMBL8934348

CN(CCCC(=O)O)CCOC1c2ccccc2CN(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.39
LTA4H P09960 7/20 0.38
RET P07949 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGFR P00533 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL8934341 0.94 LTA4H (0.40) SLC6A4LTA4HRETKDM4EMEN1
SCHEMBL9081168 0.84 HTR2C (0.47) SLC6A4LTA4HRETHTR2CSLC6A3
SCHEMBL8934439 0.82 NR1I2 (0.44) SLC6A4LTA4HRETEGFR
SCHEMBL8934430 0.81 KDM4E (0.36) LTA4HKDM4EMEN1POLBMAPT
SCHEMBL8934321 0.80 LTA4H (0.40) LTA4HRETHTR2CSLC6A3
SCHEMBL8934364 0.78 MTNR1A (0.39) LTA4HRETMEN1KMT2AHTR2C
SCHEMBL9080768 0.77 LTA4H (0.46) LTA4HRETKMT2AL3MBTL1HTR2C
SCHEMBL8934441 0.75 NR1I2 (0.43) LTA4HRETMAPTKMT2AEGFR
SCHEMBL9093457 0.74 LTA4H (0.46) LTA4H
SCHEMBL8934367 0.73 LTA4H (0.42) LTA4HRETKMT2AHTR2CSLC6A3

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-1996031480-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed