SCHEMBL4669107

SCHEMBL4669107

Clc1ccc(C(COCCOCC(c2ccccc2)c2ccc(Cl)cc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
TDO2 P48775 2/20 0.50
SCN4A P35499 2/20 0.47
CHRNA7 P36544 1/20 0.43
DRD3 P35462 3/20 0.43
KCNH2 Q12809 3/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CHRM2 P08172 2/20 0.43
ADRA2A P08913 2/20 0.43
ADRA1A P35348 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC22A1 O15245 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL10974763 0.91 IDO1 (0.46) IDO1TDO2SCN4ACHRNA7DRD3
SCHEMBL10965879 0.88 SCN4A (0.45) IDO1TDO2SCN4ACHRNA7DRD3
SCHEMBL7129055 0.78 HTR2A (0.50) SCN4ATSHRHRH1HTR2ATACR1
SCHEMBL14269139 0.78 ALDH1A1 (0.42) OPRM1HRH1HTR2AOPRK1TDP1
SCHEMBL7956378 0.75 HSD17B10 (0.41) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL5190981 0.73 CYP3A4 (0.64) IDO1TDO2DRD3KCNH2SLC6A2
SCHEMBL4669314 0.73 CYP3A4 (0.64) IDO1TDO2DRD3KCNH2SLC6A2
SCHEMBL1979244 0.72 HTR2A (0.73) IDO1TDO2SCN4ACHRNA7DRD3
SCHEMBL7429108 0.72 IDO1 (0.50) IDO1TDO2SCN4ACHRNA7DRD3
SCHEMBL21068075 0.72 HTR2A (0.73) IDO1TDO2SCN4ACHRNA7DRD3

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-1930308-A1 Pharmaceutical agents for the treatment of cerebral amyloidosis NYMOX CORPORATION (CA) 2008-06-11 EP disclosed