SCHEMBL7579693

SCHEMBL7579693

CCC(OC(C)N(CC)CC)C(CC)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
GRIN1 Q05586 6/20 0.42
GRIN2A Q12879 6/20 0.42
GRIN2D O15399 5/20 0.42
GRIN2C Q14957 5/20 0.42
GRIN2B Q13224 4/20 0.42
KDM4E B2RXH2 1/20 0.36
KCNA5 P22460 1/20 0.35
PGR P06401 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 2/20 0.33
CACNA1F O60840 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP2B6 P20813 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL702333 0.74 KCNH2 (0.44) KCNH2GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL7579679 0.72 CHRM2 (0.48) KCNH2KDM4ECYP2B6
SCHEMBL6284917 0.68 GRIN1 (0.44) KCNH2GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL4454908 0.67 GRIN1 (0.43) KCNH2GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL12809670 0.65 GRIN1 (0.42) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL705236 0.65 GRIN1 (0.39) KCNH2GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL702749 0.65 KCNH2 (0.37) KCNH2GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL10429856 0.64 ADRA2A (0.43) KCNH2KDM4EPGRADRA2AADRA2B
SCHEMBL9778413 0.64 CHRM2 (0.54) KCNH2PGRADRA2AADRA2BHTR2A
SCHEMBL416118 0.63 GRIN1 (0.47) KCNH2GRIN1GRIN2AGRIN2DGRIN2C

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
US-20020091139-A1 Treatment and delivery of hydroxychloroquine DAMON TODD HOLDINGS, L.L.C. 2002-07-11 US disclosed