SCHEMBL3932159

SCHEMBL3932159

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.79
GBA1 P04062 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.42
HSD11B1 P28845 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL3943266 0.92 FAAH (0.82) FAAHGBA1HSD11B1TRPV1CNR1
SCHEMBL3944150 0.89 FAAH (0.70) FAAHHSD11B1TRPV1CNR1
SCHEMBL3934243 0.89 FAAH (0.83) FAAHHTTTP53MAPT
SCHEMBL3941135 0.89 FAAH (1.00) FAAHGBA1HTT
SCHEMBL3939389 0.87 FAAH (0.83) FAAHGBA1HTTMAPT
SCHEMBL3939612 0.87 FAAH (0.83) FAAHGBA1HTT
SCHEMBL3932908 0.87 FAAH (0.83) FAAHKDM4EHTTMAPT
SCHEMBL3935259 0.87 FAAH (0.75) FAAHGBA1HSD11B1TRPV1CNR1
SCHEMBL3942978 0.87 FAAH (0.86) FAAHGBA1HTT
SCHEMBL3936607 0.86 FAAH (0.68) FAAHCNR1

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-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed