SCHEMBL3941389

SCHEMBL3941389

O=S(=O)(c1ccccc1C(F)(F)F)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.73
SLC22A12 Q96S37 1/20 0.51
TRPV1 Q8NER1 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GBA1 P04062 1/20 0.41
ULK1 O75385 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ALPL P05186 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL3942409 0.89 FAAH (0.77) FAAHKMT2AALDH1A1LMNAMAPK1
SCHEMBL3936894 0.87 FAAH (0.79) FAAHTRPV1ALDH1A1LMNAMAPK1
SCHEMBL3931443 0.87 FAAH (0.77) FAAHSLC22A12TRPV1ALDH1A1LMNA
SCHEMBL3934364 0.87 FAAH (0.77) FAAHMEN1KMT2AALDH1A1LMNA
SCHEMBL3938565 0.87 FAAH (0.77) FAAHTRPV1GBA1ALDH1A1LMNA
SCHEMBL3939171 0.87 FAAH (0.77) FAAHGBA1ALDH1A1LMNAMAPK1
SCHEMBL3943266 0.86 FAAH (0.82) FAAHTRPV1GBA1ALPLHSD11B1
SCHEMBL4013257 0.86 FAAH (0.68) FAAHSLC22A12TRPV1ULK1ALDH1A1
SCHEMBL3936607 0.86 FAAH (0.68) FAAHMEN1KMT2AALDH1A1ALPL
SCHEMBL3943921 0.85 FAAH (0.75) FAAHALDH1A1

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