SCHEMBL25801192

SCHEMBL25801192

CCN(CCCN(CC)CCC(=O)OCCc1ccccc1)CCC(=O)OCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
CHRM2 P08172 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
CHRM1 P11229 1/20 0.55
DRD1 P21728 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55
DRD3 P35462 1/20 0.55
SLC6A3 Q01959 1/20 0.55
SCN1A P35498 2/20 0.52
SCN2A Q99250 2/20 0.52
SCN3A Q9NY46 2/20 0.52
GAA P10253 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL25801123 0.96 SCN1A (0.54) KCNH2TDP1CHRM2HTR1AADRA2A
SCHEMBL25801125 0.93 SCN1A (0.54) KCNH2TDP1CHRM2HTR1AADRA2A
SCHEMBL25801116 0.90 TDP1 (0.54) TDP1OPRM1DRD3SCN1ASCN2A
SCHEMBL25801122 0.90 TDP1 (0.57) KCNH2TDP1CHRM2HTR1AADRA2A
SCHEMBL25801111 0.89 TDP1 (0.55) KCNH2TDP1OPRM1DRD3SCN1A
SCHEMBL25801115 0.88 TDP1 (0.54) TDP1CHRM1ALOX5APPLTA4H
SCHEMBL25801119 0.86 KCNH2 (0.54) KCNH2TDP1OPRM1DRD3LTA4H
SCHEMBL25801112 0.86 KCNH2 (0.54) KCNH2TDP1OPRM1DRD3LTA4H
SCHEMBL6839565 0.86 KCNH2 (0.64) KCNH2TDP1CHRM2HTR1AADRA2A
SCHEMBL25801124 0.86 TDP1 (0.55) TDP1GAALMNAALOX5APP

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-2023125184-A1 TERTIARY AMINE LIPID COMPOUND AND USE THEREOF 华南理工大学 2023-07-06 WO disclosed