SCHEMBL3935378

SCHEMBL3935378

O=S(=O)(c1ccco1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.77
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
IGF1R P08069 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GRM4 Q14833 1/20 0.36
PIK3CA P42336 1/20 0.35
TP53 P04637 1/20 0.35
TNF P01375 1/20 0.35

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
SCHEMBL3940444 0.88 FAAH (0.75) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3941135 0.87 FAAH (1.00) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3942978 0.85 FAAH (0.86) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3936835 0.85 FAAH (0.80) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL4012855 0.85 FAAH (0.79) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3943089 0.85 FAAH (0.82) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3940445 0.85 FAAH (0.84) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3942437 0.85 FAAH (0.88) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3942954 0.84 FAAH (0.75) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3935806 0.84 FAAH (0.78) FAAHALDH1A1LMNAMAPK1HTT

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