SCHEMBL9607151

SCHEMBL9607151

CCC(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.45
SCN9A Q15858 3/20 0.42
PDE2A O00408 2/20 0.42
SCN10A Q9Y5Y9 8/20 0.41
KCNH2 Q12809 4/20 0.40
SCN5A Q14524 2/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
CYP1A2 P05177 1/20 0.39
GRIN2B Q13224 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
SCHEMBL9607431 0.83 RXFP1 (0.51) FAAH
SCHEMBL2277499 0.82 KDM1A (0.44) FAAHSCN9APDE2AKCNH2TRPV3
SCHEMBL2270298 0.82 KDM1A (0.44) FAAHSCN9APDE2AKCNH2TRPV3
SCHEMBL2277500 0.82 KDM1A (0.44) FAAHSCN9APDE2AKCNH2TRPV3
SCHEMBL19237526 0.82 ALDH1A1 (0.46) SCN9APDE2ASCN10AKCNH2SCN5A
SCHEMBL9607474 0.82 PDE2A (0.42) SCN9APDE2ASCN10A
SCHEMBL4542016 0.81 PDE2A (0.54) PDE2A
SCHEMBL9607465 0.79 PRMT6 (0.49) FAAHSCN9APDE2ASCN10AKCNH2
SCHEMBL22585573 0.77 LMNA (0.38) PDE2A
SCHEMBL2056330 0.77 SMN1; SMN2 (0.54) SCN10ASCN5ACYP1A2GRIN2B

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