SCHEMBL3933876

SCHEMBL3933876

O=S(=O)(c1ccc(Oc2cc(Cl)cc(Cl)c2)cc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.76
MKNK1 Q9BUB5 4/20 0.40
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3931396 0.93 FAAH (0.85) FAAHMKNK1LMNAALDH1A1MAPK1
SCHEMBL3937394 0.92 FAAH (0.75) FAAHMKNK1LMNAALDH1A1MAPK1
SCHEMBL3942417 0.91 FAAH (0.78) FAAHMKNK1
SCHEMBL3932480 0.90 FAAH (0.83) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3933960 0.90 FAAH (0.86) FAAHMKNK1LMNAALDH1A1MAPK1
SCHEMBL3935259 0.88 FAAH (0.75) FAAH
SCHEMBL3943571 0.88 FAAH (0.77) FAAHMKNK1LMNAALDH1A1MAPK1
SCHEMBL3941303 0.88 FAAH (0.82) FAAHMKNK1
SCHEMBL3942978 0.87 FAAH (0.86) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3941135 0.87 FAAH (1.00) FAAHLMNAALDH1A1MAPK1HTT

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