SCHEMBL4017621

SCHEMBL4017621

Cc1nn(C)c(C)c1S(=O)(=O)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.71
PROKR1 Q8TCW9 6/20 0.42
FPR2 P25090 4/20 0.42
ALDH1A1 P00352 2/20 0.39
TNF P01375 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 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
SCHEMBL4017229 0.93 FAAH (0.70) FAAHPROKR1FPR2ALDH1A1TNF
SCHEMBL4020206 0.85 FAAH (0.73) FAAHALDH1A1TNFLMNAMAPK1
SCHEMBL4011222 0.85 FAAH (0.71) FAAHPROKR1FPR2ALDH1A1TNF
SCHEMBL3936641 0.85 FAAH (0.71) FAAHPROKR1ALDH1A1TNFLMNA
SCHEMBL3940445 0.85 FAAH (0.84) FAAHALDH1A1TNFLMNAMAPK1
SCHEMBL3943336 0.84 FAAH (0.77) FAAHPROKR1ALDH1A1TNFLMNA
SCHEMBL3936952 0.84 FAAH (0.72) FAAHPROKR1ALDH1A1TNFLMNA
SCHEMBL3942954 0.84 FAAH (0.75) FAAHALDH1A1TNFLMNAMAPK1
SCHEMBL3933957 0.84 FAAH (0.77) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3938849 0.84 FAAH (0.77) FAAHPROKR1ALDH1A1LMNAMAPK1

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