SCHEMBL23904662

SCHEMBL23904662

CCN(CC)CCCC(C)Nc1c2ccccc2nc2c(OC)cccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 10/20 0.73
APP P05067 2/20 0.54
NPC1 O15118 1/20 0.54
USP2 O75604 1/20 0.54
PRNP P04156 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
ABCB1 P08183 1/20 0.54
HTR1A P08908 1/20 0.54
CHRM5 P08912 1/20 0.54
ADRA2A P08913 1/20 0.54
CHRM1 P11229 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54
DRD1 P21728 1/20 0.54
ACHE P22303 1/20 0.54
SLC6A2 P23975 1/20 0.54
HRH2 P25021 1/20 0.54
ADRA1D P25100 1/20 0.54

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
SCHEMBL3878308 0.85 CACNA2D1 (1.00) CACNA2D1
SCHEMBL5471335 0.85 CACNA2D1 (1.00) CACNA2D1
SCHEMBL23883133 0.85 CACNA2D1 (0.77) CACNA2D1
SCHEMBL14986075 0.81 USP2 (0.79) CACNA2D1APPNPC1USP2PRNP
SCHEMBL14983507 0.78 CACNA2D1 (0.82) CACNA2D1APPNPC1USP2PRNP
SCHEMBL5468409 0.77 CACNA2D1 (0.83) CACNA2D1
SCHEMBL8288054 0.77 CACNA2D1 (0.80) CACNA2D1APPNPC1USP2PRNP
SCHEMBL5471094 0.77 CACNA2D1 (0.80) CACNA2D1APPNPC1USP2PRNP
SCHEMBL5468037 0.77 CACNA2D1 (0.80) CACNA2D1APPNPC1USP2PRNP
SCHEMBL5473857 0.74 CACNA2D1 (0.77) CACNA2D1

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-2021202669-A2 NUCLEOSIDE AND NUCLEOTIDE CONJUGATE COMPOUNDS AND USES THEREOF REYOUNG CORPORATION (US) 2021-10-07 WO disclosed