SCHEMBL4011983

SCHEMBL4011983

CN(C)S(=O)(=O)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.75
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TNF P01375 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GRM4 Q14833 1/20 0.37
ALPL P05186 1/20 0.37

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
SCHEMBL4014067 0.90 FAAH (0.71) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3935806 0.89 FAAH (0.78) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL4012855 0.87 FAAH (0.79) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3940445 0.87 FAAH (0.84) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3936102 0.86 FAAH (0.77) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3941135 0.86 FAAH (1.00) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3938587 0.86 FAAH (0.93) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3941324 0.85 FAAH (0.73) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3932859 0.85 FAAH (0.78) FAAHLMNAALDH1A1MAPK1HTT
SCHEMBL3932602 0.85 FAAH (0.78) 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