SCHEMBL3935259

SCHEMBL3935259

O=S(=O)(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.75
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HDAC6 Q9UBN7 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
SCN9A Q15858 1/20 0.39
HSD11B1 P28845 1/20 0.38
GBA1 P04062 1/20 0.38
ALPL P05186 1/20 0.38
NAMPT P43490 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
SCHEMBL3943266 0.95 FAAH (0.82) FAAHCNR1CNR2HDAC6TRPV1
SCHEMBL3944150 0.94 FAAH (0.70) FAAHCNR1CNR2TRPV1SCN9A
SCHEMBL3931396 0.92 FAAH (0.85) FAAH
SCHEMBL3942417 0.90 FAAH (0.78) FAAHALPL
SCHEMBL3933876 0.88 FAAH (0.76) FAAH
SCHEMBL3937394 0.88 FAAH (0.75) FAAH
SCHEMBL3943571 0.88 FAAH (0.77) FAAH
SCHEMBL3932159 0.87 FAAH (0.79) FAAHCNR1TRPV1HSD11B1GBA1
SCHEMBL3941303 0.87 FAAH (0.82) FAAHALPL
SCHEMBL3942437 0.87 FAAH (0.88) FAAHCNR1CNR2GBA1

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