SCHEMBL7748801

SCHEMBL7748801

CC(O)(CCCC(C)(O)N1CCCCC1)N1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CYP2D6 P10635 2/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SCN1A P35498 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN2A Q99250 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SCN3A Q9NY46 1/20 0.31

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
SCHEMBL22595095 0.81 FDPS (0.34) HRH3LMNA
SCHEMBL25304718 0.78 CYP2B6 (0.34) CYP2B6HRH3
SCHEMBL8967631 0.77 SIGMAR1 (0.47) CYP2B6HRH3CYP2D6CHRM2CHRM4
SCHEMBL29025495 0.75 CYP2B6 (0.31) CYP2B6
SCHEMBL4192258 0.71 HMGCR (0.44) CYP2B6CYP2D6CHRM1KDM4EMAPK1
SCHEMBL3711034 0.71 CYP2B6 (0.39) CYP2B6
SCHEMBL5151403 0.71 CYP2B6 (0.39) CYP2B6
SCHEMBL7156855 0.71 CYP2B6 (0.39) CYP2B6
SCHEMBL22871678 0.69 CYP2B6 (0.38) CYP2B6
SCHEMBL23336586 0.69 CYP2B6 (0.38) CYP2B6

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-2001023618-A2 COMPOSITIONS AND METHODS FOR REDUCING OLIGONUCLEOTIDE HYBRIDIZATION AND PRIMING SPECIFICITY QIAGEN GENOMICS, INC. (US) 2001-04-05 WO claimed