SCHEMBL8524073

SCHEMBL8524073

CC(C(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.36
ENPP2 Q13822 1/20 0.36
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
RBP4 P02753 1/20 0.33
NMBR P28336 1/20 0.33
EPHX2 P34913 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL1414845 0.84 SIRT2 (0.41) SIRT2ENPP2CYP11B1CYP11B2NMBR
SCHEMBL17275465 0.82 SIRT2 (0.39) SIRT2ENPP2CYP11B1CYP11B2NMBR
SCHEMBL17275466 0.82 SIRT2 (0.39) SIRT2ENPP2CYP11B1CYP11B2NMBR
SCHEMBL17275443 0.79 SIRT2 (0.40) SIRT2ENPP2CYP11B1CYP11B2NMBR
SCHEMBL1040045 0.77 CYP11B1 (0.41) SIRT2ENPP2CYP11B1CYP11B2
SCHEMBL28616157 0.77 SIRT2 (0.38) SIRT2CYP11B1CYP11B2NMBR
SCHEMBL28616160 0.77 SIRT2 (0.38) SIRT2CYP11B1CYP11B2NMBR
SCHEMBL5682164 0.76 CYP11B1 (0.43) SIRT2ENPP2CYP11B1CYP11B2FLT3
SCHEMBL670904 0.76 CYP11B1 (0.43) SIRT2ENPP2CYP11B1CYP11B2
SCHEMBL4030251 0.75 SIRT2 (0.40) SIRT2CYP11B1CYP11B2NMBR

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-5990317-A HISTAMINE H3 RECEPTOR ANTAGONIST FOR TREATING CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-11-23 US disclosed