SCHEMBL9607465

SCHEMBL9607465

CCC(O)c1cncc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.46
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
SCN9A Q15858 5/20 0.42
ABL1 P00519 4/20 0.41
FAAH O00519 3/20 0.40
CTSA P10619 1/20 0.40
PIP4K2A P48426 1/20 0.39
OPRM1 P35372 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE2A O00408 1/20 0.39
AKT1 P31749 1/20 0.38

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
SCHEMBL9607151 0.79 FAAH (0.45) SCN10ASCN9AFAAHKCNH2PDE2A
SCHEMBL4542016 0.78 PDE2A (0.54) PDE2A
SCHEMBL9606759 0.74 SCN10A (0.61) PRMT6SCN10ACYP11B1CYP11B2SCN9A
SCHEMBL4592299 0.73 PRMT6 (0.61) PRMT6SCN10ACYP11B1CYP11B2ABL1
SCHEMBL641681 0.73 SCN10A (0.63) PRMT6SCN10ACYP11B1CYP11B2ABL1
SCHEMBL3747476 0.72 CYP11B2 (0.49) PRMT6SCN10ACYP11B2SCN9AABL1
SCHEMBL12720203 0.72 SCN10A (0.58) PRMT6SCN10ACYP11B1CYP11B2SCN9A
SCHEMBL30357895 0.72 PDE2A (0.44) SCN9AFAAHPDE2A
SCHEMBL9607167 0.72 PDE2A (0.48) PDE2A
SCHEMBL1230338 0.71 CYP11B1 (0.53) PRMT6SCN10ACYP11B1CYP11B2SCN9A

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-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed